REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1jez_1_B DATA FIRST_RESID 6 DATA SEQUENCE PDIKLSSGHL MPSIGFGCWK LANATAGEQV YQAIKAGYRL FDGAEDYGNE DATA SEQUENCE KEVGDGVKRA IDEGLVKREE IFLTSKLWNN YHDPKNVETA LNKTLADLKV DATA SEQUENCE DYVDLFLIHF PIAFKFVPIE EKYPPGFYCG DGNNFVYEDV PILETWKALE DATA SEQUENCE KLVAAGKIKS IGVSNFPGAL LLDLLRGATI KPAVLQVEHH PYLQQPKLIE DATA SEQUENCE FAQKAGVTIT AYSSFXXXXX XXXXXXXXXX XXXLFAHDTI KAIAAKYNKT DATA SEQUENCE PAEVLLRWAA QRGIAVIPKS NLPERLVQNR SFNTFDLTKE DFEEIAKLDI DATA SEQUENCE GLRFNDPWDW DNIPIFV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.254 177.300 -0.077 0.000 1.155 6 P CA 0.000 63.049 63.100 -0.084 0.000 0.800 6 P CB 0.000 31.648 31.700 -0.086 0.000 0.726 7 D N 1.522 121.886 120.400 -0.060 0.000 2.294 7 D HA 0.470 5.110 4.640 -0.000 0.000 0.250 7 D C 0.134 176.402 176.300 -0.054 0.000 1.058 7 D CA -0.083 53.881 54.000 -0.060 0.000 0.950 7 D CB 1.686 42.466 40.800 -0.032 0.000 1.158 7 D HN 0.241 nan 8.370 nan 0.000 0.453 8 I N 0.868 121.400 120.570 -0.063 0.000 2.412 8 I HA 0.177 4.347 4.170 -0.000 0.000 0.296 8 I C 0.483 176.585 176.117 -0.026 0.000 0.987 8 I CA -0.774 60.495 61.300 -0.051 0.000 1.180 8 I CB 1.597 39.558 38.000 -0.065 0.000 1.340 8 I HN -0.044 nan 8.210 nan 0.000 0.455 9 K N 7.148 127.539 120.400 -0.014 0.000 2.262 9 K HA 0.453 4.773 4.320 -0.000 0.000 0.282 9 K C -0.675 175.932 176.600 0.012 0.000 1.066 9 K CA -0.494 55.799 56.287 0.009 0.000 0.901 9 K CB 0.613 33.113 32.500 -0.001 0.000 1.089 9 K HN 0.536 nan 8.250 nan 0.000 0.476 10 L N 2.697 123.949 121.223 0.048 0.000 2.472 10 L HA 0.024 4.364 4.340 -0.000 0.000 0.260 10 L C 1.826 178.716 176.870 0.034 0.000 1.209 10 L CA -0.205 54.668 54.840 0.056 0.000 0.817 10 L CB 1.040 43.177 42.059 0.130 0.000 1.106 10 L HN 0.813 nan 8.230 nan 0.000 0.479 11 S N -1.132 114.584 115.700 0.027 0.000 2.469 11 S HA -0.158 4.312 4.470 -0.000 0.000 0.238 11 S C 1.633 176.241 174.600 0.013 0.000 0.998 11 S CA 0.941 59.148 58.200 0.011 0.000 0.957 11 S CB -0.431 62.776 63.200 0.010 0.000 0.764 11 S HN 0.807 nan 8.310 nan 0.000 0.514 12 S N 0.115 115.837 115.700 0.037 0.000 2.562 12 S HA 0.434 4.904 4.470 -0.000 0.000 0.221 12 S C 1.708 176.230 174.600 -0.131 0.000 0.975 12 S CA 0.585 58.789 58.200 0.007 0.000 0.918 12 S CB -0.569 62.701 63.200 0.117 0.000 0.772 12 S HN 1.400 nan 8.310 nan 0.000 0.531 13 G N 0.777 109.522 108.800 -0.091 0.000 2.258 13 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.233 13 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.233 13 G C 0.013 174.840 174.900 -0.122 0.000 1.006 13 G CA 0.106 45.120 45.100 -0.142 0.000 0.620 13 G HN 0.642 nan 8.290 nan 0.000 0.511 14 H N 0.522 119.634 119.070 0.071 0.000 2.652 14 H HA 0.509 5.065 4.556 -0.000 0.000 0.349 14 H C 0.897 176.305 175.328 0.133 0.000 1.099 14 H CA -0.011 56.104 56.048 0.111 0.000 1.417 14 H CB 0.893 30.748 29.762 0.154 0.000 1.457 14 H HN 0.233 nan 8.280 nan 0.000 0.568 15 L N 3.293 124.677 121.223 0.269 0.000 2.326 15 L HA 0.316 4.656 4.340 -0.000 0.000 0.278 15 L C 0.513 177.475 176.870 0.154 0.000 1.092 15 L CA -0.062 54.872 54.840 0.157 0.000 0.810 15 L CB 0.731 42.855 42.059 0.108 0.000 1.153 15 L HN 0.376 nan 8.230 nan 0.000 0.439 16 M N 5.152 124.719 119.600 -0.056 0.000 2.263 16 M HA 0.470 4.950 4.480 -0.000 0.000 0.295 16 M C -2.624 173.479 176.300 -0.329 0.000 1.028 16 M CA -1.727 53.308 55.300 -0.441 0.000 0.921 16 M CB 2.733 34.999 32.600 -0.557 0.000 1.601 16 M HN 0.161 nan 8.290 nan 0.000 0.440 17 P HA 0.060 nan 4.420 nan 0.000 0.265 17 P C -0.018 177.180 177.300 -0.170 0.000 1.193 17 P CA 0.104 63.089 63.100 -0.192 0.000 0.765 17 P CB 0.737 32.350 31.700 -0.145 0.000 0.823 18 S N 2.826 118.461 115.700 -0.108 0.000 2.489 18 S HA 0.027 4.497 4.470 -0.000 0.000 0.228 18 S C 0.701 175.300 174.600 -0.001 0.000 0.995 18 S CA 0.609 58.773 58.200 -0.060 0.000 0.934 18 S CB -0.473 62.701 63.200 -0.043 0.000 0.771 18 S HN 0.344 nan 8.310 nan 0.000 0.522 19 I N 1.829 122.389 120.570 -0.018 0.000 2.382 19 I HA 0.600 4.770 4.170 -0.000 0.000 0.285 19 I C 0.499 176.655 176.117 0.066 0.000 1.007 19 I CA -0.691 60.645 61.300 0.060 0.000 1.142 19 I CB 1.626 39.625 38.000 -0.001 0.000 1.289 19 I HN 0.208 nan 8.210 nan 0.000 0.453 20 G N 4.558 113.440 108.800 0.137 0.000 2.597 20 G HA2 0.601 4.561 3.960 -0.000 0.000 0.317 20 G HA3 0.601 4.561 3.960 -0.000 0.000 0.317 20 G C -1.668 173.379 174.900 0.245 0.000 1.230 20 G CA -0.467 44.716 45.100 0.138 0.000 0.996 20 G HN 0.340 nan 8.290 nan 0.000 0.490 21 F N 1.107 120.979 119.950 -0.131 0.000 2.411 21 F HA 0.607 5.134 4.527 0.000 0.000 0.352 21 F C 0.648 176.441 175.800 -0.013 0.000 1.123 21 F CA -0.924 56.938 58.000 -0.229 0.000 1.044 21 F CB 1.272 39.897 39.000 -0.625 0.000 1.135 21 F HN 0.549 nan 8.300 nan 0.000 0.461 22 G N 4.471 113.040 108.800 -0.385 0.000 2.364 22 G HA2 0.231 4.191 3.960 -0.000 0.000 0.267 22 G HA3 0.231 4.191 3.960 -0.000 0.000 0.267 22 G C 0.047 174.835 174.900 -0.187 0.000 1.233 22 G CA -0.464 44.540 45.100 -0.159 0.000 0.885 22 G HN 0.968 nan 8.290 nan 0.000 0.490 23 C N 2.338 121.707 119.300 0.116 0.000 2.791 23 C HA 0.161 4.621 4.460 -0.000 0.000 0.270 23 C C 0.957 175.912 174.990 -0.059 0.000 1.257 23 C CA -1.235 57.877 59.018 0.157 0.000 1.699 23 C CB -1.434 26.539 27.740 0.388 0.000 1.904 23 C HN 0.769 nan 8.230 nan 0.000 0.603 24 W N 2.863 123.829 121.300 -0.556 0.000 2.322 24 W HA 0.209 4.869 4.660 -0.000 0.000 0.328 24 W C 0.698 176.890 176.519 -0.545 0.000 1.395 24 W CA 0.440 57.120 57.345 -1.109 0.000 1.267 24 W CB 0.364 29.281 29.460 -0.906 0.000 1.259 24 W HN 0.189 nan 8.180 nan 0.000 0.560 25 K N 3.604 123.354 120.400 -1.084 0.000 3.209 25 K HA -0.257 4.063 4.320 -0.000 0.000 0.289 25 K C -0.495 175.832 176.600 -0.455 0.000 1.191 25 K CA 0.639 56.377 56.287 -0.915 0.000 0.851 25 K CB -2.187 29.484 32.500 -1.381 0.000 1.242 25 K HN 0.535 nan 8.250 nan 0.000 0.480 26 L N 1.383 122.438 121.223 -0.281 0.000 2.385 26 L HA 0.250 4.590 4.340 -0.000 0.000 0.281 26 L C 0.723 177.534 176.870 -0.099 0.000 1.106 26 L CA 0.363 55.131 54.840 -0.120 0.000 0.856 26 L CB 0.417 42.477 42.059 0.001 0.000 1.186 26 L HN 0.279 nan 8.230 nan 0.000 0.453 27 A N 4.102 126.863 122.820 -0.098 0.000 2.565 27 A HA -0.022 4.298 4.320 -0.000 0.000 0.237 27 A C 1.261 178.822 177.584 -0.040 0.000 1.053 27 A CA 0.269 52.257 52.037 -0.081 0.000 0.755 27 A CB -0.139 18.819 19.000 -0.070 0.000 0.980 27 A HN 0.901 nan 8.150 nan 0.000 0.506 28 N N 2.015 120.691 118.700 -0.040 0.000 2.094 28 N HA -0.166 4.574 4.740 -0.000 0.000 0.191 28 N C 1.831 177.335 175.510 -0.010 0.000 1.023 28 N CA 2.111 55.151 53.050 -0.017 0.000 0.857 28 N CB -0.280 38.194 38.487 -0.020 0.000 1.013 28 N HN 0.803 nan 8.380 nan 0.000 0.426 29 A N -0.341 122.468 122.820 -0.018 0.000 2.067 29 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 29 A C 1.881 179.462 177.584 -0.005 0.000 1.158 29 A CA 1.829 53.858 52.037 -0.014 0.000 0.661 29 A CB -0.574 18.414 19.000 -0.019 0.000 0.801 29 A HN 0.480 nan 8.150 nan 0.000 0.452 30 T N -5.083 109.473 114.554 0.002 0.000 3.043 30 T HA 0.563 4.913 4.350 -0.000 0.000 0.272 30 T C 1.523 176.250 174.700 0.045 0.000 0.990 30 T CA 0.769 62.881 62.100 0.020 0.000 0.897 30 T CB 0.275 69.156 68.868 0.022 0.000 1.111 30 T HN 0.379 nan 8.240 nan 0.000 0.529 31 A N 2.124 124.971 122.820 0.044 0.000 1.858 31 A HA 0.283 4.603 4.320 -0.000 0.000 0.216 31 A C 2.526 180.153 177.584 0.072 0.000 1.190 31 A CA 1.731 53.816 52.037 0.080 0.000 0.617 31 A CB -1.596 17.446 19.000 0.070 0.000 0.827 31 A HN 0.580 nan 8.150 nan 0.000 0.443 32 G N -0.382 108.437 108.800 0.032 0.000 2.476 32 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 32 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 32 G C 1.485 176.400 174.900 0.023 0.000 1.164 32 G CA 1.555 46.659 45.100 0.007 0.000 0.768 32 G HN 0.588 nan 8.290 nan 0.000 0.560 33 E N 0.632 120.850 120.200 0.030 0.000 2.072 33 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 33 E C 2.564 179.228 176.600 0.107 0.000 0.985 33 E CA 1.483 57.921 56.400 0.063 0.000 0.801 33 E CB -0.368 29.356 29.700 0.039 0.000 0.750 33 E HN 0.605 nan 8.360 nan 0.000 0.452 34 Q N -0.489 119.364 119.800 0.089 0.000 2.119 34 Q HA -0.068 4.272 4.340 -0.000 0.000 0.201 34 Q C 2.292 178.264 176.000 -0.048 0.000 0.972 34 Q CA 1.335 57.189 55.803 0.085 0.000 0.847 34 Q CB 0.067 28.927 28.738 0.204 0.000 0.903 34 Q HN 0.197 nan 8.270 nan 0.000 0.433 35 V N 0.294 120.203 119.914 -0.009 0.000 2.343 35 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 35 V C 1.916 177.898 176.094 -0.187 0.000 1.051 35 V CA 1.839 64.039 62.300 -0.167 0.000 1.036 35 V CB -0.588 31.124 31.823 -0.184 0.000 0.654 35 V HN 0.390 nan 8.190 nan 0.000 0.451 36 Y N 1.031 121.226 120.300 -0.175 0.000 2.070 36 Y HA -0.267 4.283 4.550 -0.000 0.000 0.280 36 Y C 2.709 178.559 175.900 -0.083 0.000 1.148 36 Y CA 1.954 59.981 58.100 -0.122 0.000 1.125 36 Y CB -0.371 38.041 38.460 -0.080 0.000 0.975 36 Y HN 0.203 nan 8.280 nan 0.000 0.492 37 Q N 0.242 119.981 119.800 -0.102 0.000 2.181 37 Q HA -0.170 4.170 4.340 -0.000 0.000 0.205 37 Q C 2.513 178.408 176.000 -0.175 0.000 0.980 37 Q CA 1.422 57.128 55.803 -0.161 0.000 0.862 37 Q CB -0.925 27.801 28.738 -0.021 0.000 0.905 37 Q HN 0.653 nan 8.270 nan 0.000 0.429 38 A N 0.700 123.370 122.820 -0.251 0.000 1.933 38 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 38 A C 2.177 179.788 177.584 0.046 0.000 1.175 38 A CA 1.024 52.877 52.037 -0.307 0.000 0.628 38 A CB -0.582 17.819 19.000 -0.998 0.000 0.814 38 A HN 0.310 nan 8.150 nan 0.000 0.444 39 I N -0.557 120.032 120.570 0.031 0.000 2.202 39 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 39 I C 2.367 178.466 176.117 -0.030 0.000 1.091 39 I CA 1.540 62.889 61.300 0.082 0.000 1.368 39 I CB -0.263 37.728 38.000 -0.015 0.000 1.058 39 I HN 0.273 nan 8.210 nan 0.000 0.410 40 K N 0.845 121.135 120.400 -0.184 0.000 2.209 40 K HA -0.091 4.228 4.320 -0.000 0.000 0.204 40 K C 1.842 178.410 176.600 -0.054 0.000 1.048 40 K CA 1.318 57.505 56.287 -0.167 0.000 0.940 40 K CB -0.169 32.165 32.500 -0.276 0.000 0.729 40 K HN 0.304 nan 8.250 nan 0.000 0.451 41 A N 0.123 122.947 122.820 0.006 0.000 2.238 41 A HA 0.225 4.545 4.320 -0.000 0.000 0.208 41 A C 1.363 178.993 177.584 0.077 0.000 1.177 41 A CA 0.820 52.902 52.037 0.075 0.000 0.804 41 A CB -0.161 18.931 19.000 0.152 0.000 0.823 41 A HN 0.414 nan 8.150 nan 0.000 0.482 42 G N -2.395 106.438 108.800 0.054 0.000 2.218 42 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 42 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 42 G C 0.000 174.864 174.900 -0.060 0.000 0.994 42 G CA -0.053 45.029 45.100 -0.030 0.000 0.637 42 G HN 0.346 nan 8.290 nan 0.000 0.505 43 Y N 0.820 121.112 120.300 -0.014 0.000 2.425 43 Y HA 0.594 5.144 4.550 -0.000 0.000 0.331 43 Y C 1.726 177.648 175.900 0.035 0.000 1.157 43 Y CA 0.031 58.096 58.100 -0.059 0.000 1.372 43 Y CB 0.776 39.121 38.460 -0.192 0.000 1.253 43 Y HN -0.007 nan 8.280 nan 0.000 0.536 44 R N 1.546 122.111 120.500 0.109 0.000 2.435 44 R HA 0.236 4.576 4.340 -0.000 0.000 0.221 44 R C -0.558 175.890 176.300 0.248 0.000 0.885 44 R CA -0.163 56.076 56.100 0.232 0.000 1.018 44 R CB 0.102 30.491 30.300 0.148 0.000 1.259 44 R HN 0.629 nan 8.270 nan 0.000 0.597 45 L N 1.154 122.378 121.223 0.002 0.000 2.309 45 L HA 0.512 4.852 4.340 -0.000 0.000 0.282 45 L C -1.302 175.387 176.870 -0.302 0.000 1.036 45 L CA -0.552 54.328 54.840 0.066 0.000 0.806 45 L CB 0.751 42.815 42.059 0.008 0.000 1.220 45 L HN -0.191 nan 8.230 nan 0.000 0.429 46 F N 2.769 122.924 119.950 0.341 0.000 2.496 46 F HA 0.251 4.778 4.527 -0.000 0.000 0.341 46 F C -0.287 175.700 175.800 0.312 0.000 1.134 46 F CA -0.830 57.374 58.000 0.340 0.000 0.968 46 F CB 1.461 40.637 39.000 0.294 0.000 1.205 46 F HN 0.425 nan 8.300 nan 0.000 0.436 47 D N 2.641 123.253 120.400 0.353 0.000 2.365 47 D HA 0.502 5.142 4.640 -0.000 0.000 0.237 47 D C 0.243 176.792 176.300 0.414 0.000 1.190 47 D CA 0.179 54.377 54.000 0.329 0.000 0.867 47 D CB 0.568 41.521 40.800 0.256 0.000 1.050 47 D HN 0.670 nan 8.370 nan 0.000 0.491 48 G N 1.842 110.852 108.800 0.351 0.000 2.932 48 G HA2 0.848 4.808 3.960 -0.000 0.000 0.283 48 G HA3 0.848 4.808 3.960 -0.000 0.000 0.283 48 G C -1.288 173.567 174.900 -0.075 0.000 1.336 48 G CA -0.557 44.742 45.100 0.331 0.000 1.056 48 G HN 0.708 nan 8.290 nan 0.000 0.522 49 A N -1.284 121.331 122.820 -0.341 0.000 2.594 49 A HA 0.588 4.908 4.320 -0.000 0.000 0.296 49 A C 0.333 177.804 177.584 -0.188 0.000 1.056 49 A CA -0.233 51.495 52.037 -0.514 0.000 0.693 49 A CB 0.750 18.966 19.000 -1.306 0.000 1.278 49 A HN 0.586 nan 8.150 nan 0.000 0.408 50 E N 0.452 120.691 120.200 0.064 0.000 2.085 50 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 50 E C 0.873 177.438 176.600 -0.058 0.000 0.994 50 E CA 1.777 58.278 56.400 0.168 0.000 0.801 50 E CB 0.034 29.985 29.700 0.419 0.000 0.743 50 E HN 0.806 nan 8.360 nan 0.000 0.453 51 D N -0.457 119.872 120.400 -0.119 0.000 2.218 51 D HA -0.170 4.470 4.640 -0.000 0.000 0.204 51 D C 1.319 177.576 176.300 -0.072 0.000 0.976 51 D CA 0.797 54.565 54.000 -0.387 0.000 0.853 51 D CB 0.040 40.415 40.800 -0.708 0.000 0.939 51 D HN 0.165 nan 8.370 nan 0.000 0.481 52 Y N -0.027 120.259 120.300 -0.023 0.000 2.333 52 Y HA 0.106 4.656 4.550 -0.000 0.000 0.290 52 Y C 2.361 178.206 175.900 -0.092 0.000 1.144 52 Y CA 0.932 59.014 58.100 -0.031 0.000 1.228 52 Y CB -0.889 37.612 38.460 0.068 0.000 0.985 52 Y HN 0.114 nan 8.280 nan 0.000 0.542 53 G N 0.750 109.590 108.800 0.066 0.000 2.155 53 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.257 53 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.257 53 G C 0.415 175.349 174.900 0.057 0.000 0.983 53 G CA 0.702 45.805 45.100 0.004 0.000 0.676 53 G HN 0.550 nan 8.290 nan 0.000 0.528 54 N N -0.688 118.076 118.700 0.107 0.000 2.241 54 N HA 0.191 4.931 4.740 -0.000 0.000 0.238 54 N C 1.010 176.590 175.510 0.117 0.000 1.244 54 N CA 0.422 53.528 53.050 0.093 0.000 0.880 54 N CB 0.147 38.681 38.487 0.079 0.000 1.179 54 N HN 0.401 nan 8.380 nan 0.000 0.513 55 E N 1.143 121.427 120.200 0.140 0.000 2.118 55 E HA -0.221 4.128 4.350 -0.000 0.000 0.195 55 E C 1.319 177.968 176.600 0.082 0.000 0.992 55 E CA 0.978 57.456 56.400 0.129 0.000 0.804 55 E CB 0.099 29.888 29.700 0.149 0.000 0.741 55 E HN 0.461 nan 8.360 nan 0.000 0.458 56 K N 0.931 121.376 120.400 0.075 0.000 2.097 56 K HA -0.207 4.113 4.320 -0.000 0.000 0.206 56 K C 1.806 178.419 176.600 0.022 0.000 1.049 56 K CA 1.445 57.755 56.287 0.039 0.000 0.933 56 K CB 0.149 32.672 32.500 0.039 0.000 0.717 56 K HN -0.049 nan 8.250 nan 0.000 0.442 57 E N -0.043 120.176 120.200 0.032 0.000 2.107 57 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 57 E C 1.851 178.460 176.600 0.014 0.000 0.982 57 E CA 0.800 57.210 56.400 0.018 0.000 0.809 57 E CB 0.031 29.746 29.700 0.024 0.000 0.756 57 E HN 0.034 nan 8.360 nan 0.000 0.459 58 V N 0.622 120.558 119.914 0.037 0.000 2.343 58 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 58 V C 2.261 178.329 176.094 -0.042 0.000 1.051 58 V CA 2.037 64.350 62.300 0.020 0.000 1.036 58 V CB -1.111 30.763 31.823 0.084 0.000 0.654 58 V HN 0.447 nan 8.190 nan 0.000 0.451 59 G N -0.350 108.436 108.800 -0.023 0.000 2.442 59 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 59 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 59 G C 1.250 176.117 174.900 -0.055 0.000 1.141 59 G CA 1.066 46.138 45.100 -0.046 0.000 0.763 59 G HN 0.503 nan 8.290 nan 0.000 0.554 60 D N 0.779 121.153 120.400 -0.043 0.000 2.104 60 D HA -0.098 4.542 4.640 -0.000 0.000 0.194 60 D C 2.673 178.936 176.300 -0.062 0.000 0.994 60 D CA 1.416 55.386 54.000 -0.051 0.000 0.830 60 D CB -0.840 39.934 40.800 -0.044 0.000 0.959 60 D HN 0.311 nan 8.370 nan 0.000 0.452 61 G N 0.843 109.607 108.800 -0.060 0.000 2.446 61 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 61 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 61 G C 1.917 176.789 174.900 -0.046 0.000 1.168 61 G CA 0.929 46.003 45.100 -0.042 0.000 0.771 61 G HN 0.237 nan 8.290 nan 0.000 0.551 62 V N 0.773 120.614 119.914 -0.123 0.000 2.295 62 V HA -0.179 3.940 4.120 -0.000 0.000 0.246 62 V C 2.688 178.752 176.094 -0.049 0.000 1.049 62 V CA 2.348 64.575 62.300 -0.122 0.000 1.024 62 V CB -0.460 31.276 31.823 -0.146 0.000 0.648 62 V HN 0.423 nan 8.190 nan 0.000 0.447 63 K N 0.059 120.429 120.400 -0.050 0.000 2.009 63 K HA -0.256 4.064 4.320 -0.000 0.000 0.210 63 K C 2.431 179.020 176.600 -0.018 0.000 1.049 63 K CA 1.964 58.229 56.287 -0.036 0.000 0.929 63 K CB -0.227 32.246 32.500 -0.045 0.000 0.714 63 K HN 0.300 nan 8.250 nan 0.000 0.440 64 R N 0.161 120.642 120.500 -0.031 0.000 2.097 64 R HA -0.197 4.143 4.340 -0.000 0.000 0.236 64 R C 2.184 178.533 176.300 0.082 0.000 1.135 64 R CA 1.801 57.874 56.100 -0.045 0.000 0.934 64 R CB -0.480 29.697 30.300 -0.204 0.000 0.846 64 R HN 0.307 nan 8.270 nan 0.000 0.431 65 A N 0.892 123.833 122.820 0.202 0.000 1.908 65 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 65 A C 2.215 179.857 177.584 0.096 0.000 1.181 65 A CA 1.631 53.800 52.037 0.221 0.000 0.627 65 A CB -0.526 18.549 19.000 0.126 0.000 0.818 65 A HN 0.428 nan 8.150 nan 0.000 0.445 66 I N -0.380 120.220 120.570 0.050 0.000 2.252 66 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 66 I C 1.643 177.777 176.117 0.027 0.000 1.102 66 I CA 1.333 62.650 61.300 0.029 0.000 1.385 66 I CB -0.402 37.603 38.000 0.008 0.000 1.064 66 I HN 0.238 nan 8.210 nan 0.000 0.414 67 D N 0.782 121.195 120.400 0.021 0.000 2.219 67 D HA -0.153 4.487 4.640 -0.000 0.000 0.205 67 D C 1.684 177.998 176.300 0.023 0.000 0.970 67 D CA 1.064 55.072 54.000 0.012 0.000 0.851 67 D CB -0.129 40.668 40.800 -0.004 0.000 0.943 67 D HN 0.429 nan 8.370 nan 0.000 0.488 68 E N -0.279 119.949 120.200 0.047 0.000 2.476 68 E HA 0.168 4.518 4.350 -0.000 0.000 0.191 68 E C 1.002 177.633 176.600 0.051 0.000 1.064 68 E CA 0.086 56.522 56.400 0.059 0.000 0.866 68 E CB 0.233 30.002 29.700 0.116 0.000 0.952 68 E HN 0.207 nan 8.360 nan 0.000 0.492 69 G N 1.446 110.270 108.800 0.041 0.000 2.203 69 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.263 69 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.263 69 G C 0.775 175.695 174.900 0.033 0.000 1.012 69 G CA 0.435 45.554 45.100 0.032 0.000 0.749 69 G HN 0.303 nan 8.290 nan 0.000 0.512 70 L N -1.220 120.027 121.223 0.040 0.000 2.131 70 L HA 0.251 4.591 4.340 -0.000 0.000 0.206 70 L C 1.506 178.390 176.870 0.025 0.000 1.087 70 L CA 1.575 56.430 54.840 0.025 0.000 0.767 70 L CB -0.430 41.637 42.059 0.012 0.000 0.917 70 L HN 0.551 nan 8.230 nan 0.000 0.441 71 V N -4.023 115.911 119.914 0.033 0.000 3.206 71 V HA 0.482 4.602 4.120 -0.000 0.000 0.305 71 V C -1.123 174.995 176.094 0.040 0.000 1.257 71 V CA -1.241 61.083 62.300 0.041 0.000 1.057 71 V CB 2.156 34.012 31.823 0.054 0.000 1.075 71 V HN -0.004 nan 8.190 nan 0.000 0.443 72 K N 0.247 120.675 120.400 0.046 0.000 2.221 72 K HA 0.593 4.913 4.320 -0.000 0.000 0.243 72 K C 0.622 177.254 176.600 0.053 0.000 0.968 72 K CA -0.950 55.363 56.287 0.044 0.000 0.846 72 K CB 2.138 34.665 32.500 0.045 0.000 1.141 72 K HN 0.752 nan 8.250 nan 0.000 0.434 73 R N 2.213 122.740 120.500 0.046 0.000 2.113 73 R HA -0.213 4.127 4.340 -0.000 0.000 0.244 73 R C 1.648 178.003 176.300 0.092 0.000 1.142 73 R CA 2.367 58.493 56.100 0.044 0.000 0.953 73 R CB -0.281 30.044 30.300 0.042 0.000 0.860 73 R HN 0.795 nan 8.270 nan 0.000 0.438 74 E N 0.339 120.608 120.200 0.115 0.000 2.472 74 E HA -0.184 4.166 4.350 -0.000 0.000 0.200 74 E C 0.679 177.355 176.600 0.126 0.000 1.046 74 E CA 1.249 57.730 56.400 0.134 0.000 0.871 74 E CB -0.077 29.683 29.700 0.101 0.000 0.806 74 E HN 0.650 nan 8.360 nan 0.000 0.533 75 E N 0.181 120.450 120.200 0.114 0.000 2.415 75 E HA 0.132 4.482 4.350 -0.000 0.000 0.197 75 E C 0.308 177.008 176.600 0.166 0.000 1.007 75 E CA -0.129 56.344 56.400 0.122 0.000 0.890 75 E CB 0.514 30.270 29.700 0.092 0.000 0.891 75 E HN 0.188 nan 8.360 nan 0.000 0.496 76 I N 1.202 121.873 120.570 0.168 0.000 2.353 76 I HA 0.183 4.353 4.170 -0.000 0.000 0.293 76 I C -0.478 175.791 176.117 0.254 0.000 0.992 76 I CA -0.558 60.879 61.300 0.227 0.000 1.268 76 I CB 0.577 38.670 38.000 0.155 0.000 1.387 76 I HN -0.088 nan 8.210 nan 0.000 0.478 77 F N 7.372 127.436 119.950 0.190 0.000 2.375 77 F HA 0.491 5.018 4.527 -0.000 0.000 0.361 77 F C -0.728 175.194 175.800 0.204 0.000 1.117 77 F CA -0.573 57.524 58.000 0.162 0.000 1.037 77 F CB 0.776 39.856 39.000 0.134 0.000 1.192 77 F HN 0.208 nan 8.300 nan 0.000 0.452 78 L N 6.032 127.284 121.223 0.048 0.000 2.287 78 L HA 0.476 4.816 4.340 -0.000 0.000 0.287 78 L C -0.098 176.827 176.870 0.092 0.000 1.022 78 L CA -0.455 54.466 54.840 0.134 0.000 0.814 78 L CB 1.733 43.793 42.059 0.001 0.000 1.217 78 L HN 0.509 nan 8.230 nan 0.000 0.420 79 T N 1.472 116.191 114.554 0.275 0.000 2.859 79 T HA 0.519 4.869 4.350 -0.000 0.000 0.281 79 T C -0.327 174.510 174.700 0.228 0.000 1.005 79 T CA -0.379 61.884 62.100 0.272 0.000 1.025 79 T CB 1.932 71.005 68.868 0.342 0.000 0.977 79 T HN 0.571 nan 8.240 nan 0.000 0.458 80 S N 1.636 117.490 115.700 0.257 0.000 2.685 80 S HA 0.722 5.192 4.470 -0.000 0.000 0.282 80 S C -1.774 172.925 174.600 0.165 0.000 1.159 80 S CA -0.898 57.459 58.200 0.262 0.000 0.833 80 S CB 1.149 64.586 63.200 0.395 0.000 1.151 80 S HN 0.615 nan 8.310 nan 0.000 0.485 81 K N 1.261 121.660 120.400 -0.002 0.000 2.464 81 K HA 0.466 4.786 4.320 -0.000 0.000 0.253 81 K C -1.593 174.894 176.600 -0.188 0.000 0.933 81 K CA -0.820 55.297 56.287 -0.283 0.000 0.801 81 K CB 2.016 34.253 32.500 -0.438 0.000 1.271 81 K HN 0.448 nan 8.250 nan 0.000 0.430 82 L N 3.473 124.409 121.223 -0.478 0.000 2.325 82 L HA 0.217 4.557 4.340 -0.000 0.000 0.284 82 L C -0.223 176.915 176.870 0.447 0.000 1.089 82 L CA -0.059 54.759 54.840 -0.036 0.000 0.836 82 L CB 0.167 42.084 42.059 -0.237 0.000 1.184 82 L HN 0.629 nan 8.230 nan 0.000 0.444 83 W N 5.245 126.833 121.300 0.479 0.000 2.079 83 W HA -0.027 4.633 4.660 -0.000 0.000 0.354 83 W C 0.771 177.466 176.519 0.293 0.000 1.302 83 W CA -0.645 56.935 57.345 0.392 0.000 1.281 83 W CB 0.741 30.382 29.460 0.302 0.000 1.165 83 W HN 0.700 nan 8.180 nan 0.000 0.603 84 N N 2.381 120.430 118.700 -1.085 0.000 2.205 84 N HA -0.229 4.511 4.740 -0.000 0.000 0.186 84 N C 0.777 175.957 175.510 -0.551 0.000 1.015 84 N CA 1.705 54.137 53.050 -1.030 0.000 0.862 84 N CB -0.464 36.895 38.487 -1.880 0.000 0.986 84 N HN 0.431 nan 8.380 nan 0.000 0.429 85 N N -0.227 118.233 118.700 -0.400 0.000 2.521 85 N HA -0.048 4.692 4.740 -0.000 0.000 0.188 85 N C -0.116 175.435 175.510 0.068 0.000 1.146 85 N CA 0.419 53.382 53.050 -0.145 0.000 0.893 85 N CB -0.052 38.299 38.487 -0.226 0.000 0.975 85 N HN 0.376 nan 8.380 nan 0.000 0.451 86 Y N -1.209 119.352 120.300 0.434 0.000 2.720 86 Y HA 0.288 4.838 4.550 -0.000 0.000 0.277 86 Y C 1.087 177.223 175.900 0.394 0.000 1.144 86 Y CA -0.873 57.498 58.100 0.452 0.000 1.221 86 Y CB -0.828 37.910 38.460 0.464 0.000 1.163 86 Y HN 0.304 nan 8.280 nan 0.000 0.537 87 H N -0.982 118.246 119.070 0.262 0.000 2.470 87 H HA -0.063 4.493 4.556 -0.000 0.000 0.289 87 H C 0.292 175.720 175.328 0.166 0.000 1.033 87 H CA 0.353 56.518 56.048 0.194 0.000 1.331 87 H CB 0.452 30.297 29.762 0.138 0.000 1.414 87 H HN 0.178 nan 8.280 nan 0.000 0.545 88 D N 1.244 121.810 120.400 0.276 0.000 2.451 88 D HA -0.043 4.597 4.640 -0.000 0.000 0.254 88 D C -1.605 174.762 176.300 0.111 0.000 1.204 88 D CA -1.692 52.404 54.000 0.160 0.000 0.896 88 D CB 1.137 42.002 40.800 0.108 0.000 1.136 88 D HN 0.070 nan 8.370 nan 0.000 0.499 89 P HA -0.262 nan 4.420 nan 0.000 0.220 89 P C 1.105 178.423 177.300 0.029 0.000 1.155 89 P CA 2.257 65.395 63.100 0.063 0.000 0.880 89 P CB -0.004 31.729 31.700 0.054 0.000 0.790 90 K N -0.886 119.513 120.400 -0.001 0.000 2.362 90 K HA -0.075 4.245 4.320 -0.000 0.000 0.200 90 K C 1.114 177.662 176.600 -0.087 0.000 1.046 90 K CA 1.702 57.964 56.287 -0.042 0.000 0.952 90 K CB -0.718 31.746 32.500 -0.060 0.000 0.753 90 K HN 0.237 nan 8.250 nan 0.000 0.466 91 N N 0.444 119.091 118.700 -0.088 0.000 2.236 91 N HA 0.029 4.769 4.740 -0.000 0.000 0.196 91 N C 1.151 176.696 175.510 0.057 0.000 1.114 91 N CA -0.174 52.807 53.050 -0.115 0.000 0.859 91 N CB 0.720 39.074 38.487 -0.222 0.000 0.982 91 N HN -0.092 nan 8.380 nan 0.000 0.493 92 V N 1.387 121.356 119.914 0.091 0.000 2.307 92 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 92 V C 2.315 178.467 176.094 0.097 0.000 1.045 92 V CA 1.760 64.148 62.300 0.148 0.000 1.024 92 V CB -0.385 31.518 31.823 0.133 0.000 0.651 92 V HN 0.367 nan 8.190 nan 0.000 0.449 93 E N -0.046 120.171 120.200 0.029 0.000 2.150 93 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 93 E C 2.146 178.725 176.600 -0.035 0.000 0.985 93 E CA 1.636 58.027 56.400 -0.015 0.000 0.814 93 E CB -0.122 29.561 29.700 -0.028 0.000 0.752 93 E HN 0.622 nan 8.360 nan 0.000 0.466 94 T N 0.514 115.050 114.554 -0.030 0.000 2.652 94 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 94 T C 1.867 176.517 174.700 -0.084 0.000 1.039 94 T CA 1.593 63.667 62.100 -0.044 0.000 1.153 94 T CB -0.419 68.438 68.868 -0.019 0.000 0.863 94 T HN 0.375 nan 8.240 nan 0.000 0.428 95 A N 1.208 123.961 122.820 -0.111 0.000 1.902 95 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 95 A C 2.260 179.834 177.584 -0.016 0.000 1.181 95 A CA 1.395 53.324 52.037 -0.179 0.000 0.623 95 A CB -0.833 18.011 19.000 -0.260 0.000 0.818 95 A HN 0.413 nan 8.150 nan 0.000 0.443 96 L N 0.458 121.673 121.223 -0.012 0.000 2.083 96 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 96 L C 1.776 178.535 176.870 -0.185 0.000 1.083 96 L CA 2.253 56.964 54.840 -0.216 0.000 0.752 96 L CB -0.868 40.974 42.059 -0.363 0.000 0.899 96 L HN 0.319 nan 8.230 nan 0.000 0.433 97 N N 0.147 118.770 118.700 -0.128 0.000 2.120 97 N HA -0.217 4.522 4.740 -0.000 0.000 0.188 97 N C 1.849 177.292 175.510 -0.112 0.000 1.024 97 N CA 1.402 54.384 53.050 -0.113 0.000 0.852 97 N CB -0.299 38.136 38.487 -0.087 0.000 1.003 97 N HN 0.297 nan 8.380 nan 0.000 0.424 98 K N 0.779 121.102 120.400 -0.128 0.000 2.097 98 K HA 0.012 4.332 4.320 -0.000 0.000 0.206 98 K C 1.811 178.355 176.600 -0.094 0.000 1.049 98 K CA 1.415 57.601 56.287 -0.169 0.000 0.933 98 K CB -0.777 31.529 32.500 -0.324 0.000 0.717 98 K HN 0.038 nan 8.250 nan 0.000 0.442 99 T N 1.219 115.750 114.554 -0.038 0.000 2.746 99 T HA -0.047 4.303 4.350 -0.000 0.000 0.267 99 T C 1.678 176.348 174.700 -0.050 0.000 1.039 99 T CA 1.529 63.638 62.100 0.014 0.000 1.142 99 T CB -0.181 68.715 68.868 0.045 0.000 0.866 99 T HN 0.133 nan 8.240 nan 0.000 0.444 100 L N 0.679 121.837 121.223 -0.108 0.000 2.046 100 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 100 L C 3.026 179.843 176.870 -0.088 0.000 1.077 100 L CA 1.190 55.959 54.840 -0.117 0.000 0.747 100 L CB -0.655 41.325 42.059 -0.132 0.000 0.896 100 L HN 0.227 nan 8.230 nan 0.000 0.432 101 A N -0.114 122.659 122.820 -0.078 0.000 1.898 101 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 101 A C 1.933 179.486 177.584 -0.050 0.000 1.181 101 A CA 1.898 53.896 52.037 -0.066 0.000 0.620 101 A CB -0.467 18.490 19.000 -0.071 0.000 0.819 101 A HN 0.340 nan 8.150 nan 0.000 0.442 102 D N 0.033 120.411 120.400 -0.037 0.000 2.144 102 D HA -0.074 4.566 4.640 -0.000 0.000 0.200 102 D C 1.786 178.078 176.300 -0.012 0.000 0.978 102 D CA 0.947 54.942 54.000 -0.009 0.000 0.833 102 D CB -0.281 40.540 40.800 0.035 0.000 0.961 102 D HN 0.443 nan 8.370 nan 0.000 0.470 103 L N -0.009 121.199 121.223 -0.025 0.000 2.478 103 L HA 0.024 4.364 4.340 -0.000 0.000 0.223 103 L C 0.309 177.139 176.870 -0.067 0.000 1.140 103 L CA 0.264 55.079 54.840 -0.041 0.000 0.842 103 L CB -0.257 41.770 42.059 -0.053 0.000 0.953 103 L HN -0.026 nan 8.230 nan 0.000 0.452 104 K N 0.053 120.413 120.400 -0.066 0.000 3.150 104 K HA -0.145 4.175 4.320 -0.000 0.000 0.267 104 K C -0.622 175.925 176.600 -0.090 0.000 1.028 104 K CA 0.541 56.788 56.287 -0.068 0.000 0.753 104 K CB -2.005 30.462 32.500 -0.055 0.000 1.288 104 K HN 0.325 nan 8.250 nan 0.000 0.473 105 V N -4.165 115.678 119.914 -0.119 0.000 3.130 105 V HA 0.431 4.551 4.120 -0.000 0.000 0.310 105 V C 0.498 176.505 176.094 -0.145 0.000 1.158 105 V CA -0.847 61.351 62.300 -0.169 0.000 1.029 105 V CB 2.213 33.859 31.823 -0.295 0.000 1.057 105 V HN 0.056 nan 8.190 nan 0.000 0.436 106 D N 0.116 120.448 120.400 -0.113 0.000 2.333 106 D HA 0.177 4.817 4.640 -0.000 0.000 0.208 106 D C -0.084 176.246 176.300 0.049 0.000 0.984 106 D CA 1.649 55.648 54.000 -0.001 0.000 0.873 106 D CB 0.400 41.257 40.800 0.095 0.000 0.935 106 D HN 0.799 nan 8.370 nan 0.000 0.521 107 Y N -1.294 118.938 120.300 -0.112 0.000 2.624 107 Y HA 0.465 5.015 4.550 -0.000 0.000 0.334 107 Y C -1.065 174.739 175.900 -0.161 0.000 1.155 107 Y CA -1.722 56.290 58.100 -0.147 0.000 1.046 107 Y CB 0.777 39.152 38.460 -0.143 0.000 1.316 107 Y HN -0.248 nan 8.280 nan 0.000 0.457 108 V N -1.058 118.765 119.914 -0.152 0.000 2.630 108 V HA 0.471 4.591 4.120 -0.000 0.000 0.305 108 V C -0.023 176.024 176.094 -0.078 0.000 1.046 108 V CA -0.534 61.645 62.300 -0.202 0.000 0.934 108 V CB 1.987 33.720 31.823 -0.150 0.000 1.003 108 V HN 0.996 nan 8.190 nan 0.000 0.451 109 D N 1.094 121.331 120.400 -0.272 0.000 2.234 109 D HA 0.104 4.744 4.640 -0.000 0.000 0.205 109 D C 0.082 176.141 176.300 -0.400 0.000 0.962 109 D CA 1.383 55.061 54.000 -0.536 0.000 0.855 109 D CB 0.781 40.711 40.800 -1.449 0.000 0.951 109 D HN 0.434 nan 8.370 nan 0.000 0.500 110 L N -0.212 120.919 121.223 -0.154 0.000 2.493 110 L HA 0.422 4.762 4.340 -0.000 0.000 0.265 110 L C -2.112 174.906 176.870 0.247 0.000 0.954 110 L CA -0.778 54.135 54.840 0.122 0.000 0.844 110 L CB 2.340 44.599 42.059 0.334 0.000 1.302 110 L HN -0.302 nan 8.230 nan 0.000 0.405 111 F N 5.514 125.482 119.950 0.029 0.000 2.507 111 F HA 0.711 5.238 4.527 0.000 0.000 0.328 111 F C -1.429 174.399 175.800 0.046 0.000 1.136 111 F CA -0.852 57.164 58.000 0.026 0.000 0.930 111 F CB 1.409 40.406 39.000 -0.005 0.000 1.166 111 F HN 0.364 nan 8.300 nan 0.000 0.436 112 L N 6.176 127.290 121.223 -0.181 0.000 2.334 112 L HA 0.529 4.869 4.340 -0.000 0.000 0.273 112 L C -0.208 176.523 176.870 -0.232 0.000 1.013 112 L CA -1.079 53.680 54.840 -0.136 0.000 0.816 112 L CB 2.131 44.154 42.059 -0.059 0.000 1.278 112 L HN 0.432 nan 8.230 nan 0.000 0.431 113 I N 1.799 122.334 120.570 -0.059 0.000 2.421 113 I HA -0.040 4.129 4.170 -0.000 0.000 0.291 113 I C 1.373 177.587 176.117 0.161 0.000 1.089 113 I CA 0.239 61.559 61.300 0.033 0.000 1.354 113 I CB 0.435 38.528 38.000 0.154 0.000 1.413 113 I HN 0.707 nan 8.210 nan 0.000 0.513 114 H N 5.942 125.076 119.070 0.106 0.000 2.319 114 H HA -0.063 4.493 4.556 -0.000 0.000 0.299 114 H C -0.209 175.095 175.328 -0.040 0.000 1.092 114 H CA 1.389 57.513 56.048 0.126 0.000 1.302 114 H CB 0.389 30.393 29.762 0.403 0.000 1.373 114 H HN 0.407 nan 8.280 nan 0.000 0.497 115 F N -1.345 118.815 119.950 0.349 0.000 2.613 115 F HA 0.288 4.815 4.527 -0.000 0.000 0.310 115 F C -2.112 173.805 175.800 0.195 0.000 1.085 115 F CA -2.540 55.588 58.000 0.214 0.000 0.945 115 F CB 2.053 41.049 39.000 -0.006 0.000 1.298 115 F HN -0.095 nan 8.300 nan 0.000 0.455 116 P HA 0.273 nan 4.420 nan 0.000 0.218 116 P C -0.719 176.518 177.300 -0.105 0.000 1.793 116 P CA 0.665 63.699 63.100 -0.110 0.000 0.941 116 P CB -0.104 31.126 31.700 -0.784 0.000 1.919 117 I N 0.384 120.905 120.570 -0.082 0.000 2.569 117 I HA 0.515 4.685 4.170 -0.000 0.000 0.290 117 I C -0.357 175.377 176.117 -0.638 0.000 1.088 117 I CA -1.124 59.996 61.300 -0.300 0.000 1.047 117 I CB 2.634 40.430 38.000 -0.341 0.000 1.237 117 I HN -0.041 nan 8.210 nan 0.000 0.421 118 A N 6.520 129.123 122.820 -0.361 0.000 2.328 118 A HA 0.708 5.028 4.320 -0.000 0.000 0.318 118 A C -0.837 176.810 177.584 0.105 0.000 1.347 118 A CA -0.322 51.501 52.037 -0.358 0.000 0.842 118 A CB 0.102 19.041 19.000 -0.103 0.000 1.148 118 A HN 0.426 nan 8.150 nan 0.000 0.499 119 F N 1.074 120.948 119.950 -0.127 0.000 2.380 119 F HA 0.340 4.867 4.527 -0.000 0.000 0.325 119 F C 1.080 176.837 175.800 -0.072 0.000 1.136 119 F CA -1.036 56.894 58.000 -0.116 0.000 1.171 119 F CB 0.942 39.847 39.000 -0.158 0.000 1.230 119 F HN 0.592 nan 8.300 nan 0.000 0.554 120 K N 2.163 122.605 120.400 0.069 0.000 2.451 120 K HA 0.040 4.360 4.320 -0.000 0.000 0.280 120 K C -0.303 176.360 176.600 0.105 0.000 1.020 120 K CA -0.317 56.004 56.287 0.056 0.000 1.008 120 K CB 0.149 32.609 32.500 -0.066 0.000 0.917 120 K HN 0.403 nan 8.250 nan 0.000 0.478 121 F N 4.684 124.672 119.950 0.063 0.000 2.629 121 F HA 0.099 4.626 4.527 -0.000 0.000 0.369 121 F C -0.758 175.099 175.800 0.095 0.000 1.125 121 F CA 0.242 58.315 58.000 0.122 0.000 1.330 121 F CB 0.539 39.642 39.000 0.172 0.000 1.071 121 F HN 0.164 nan 8.300 nan 0.000 0.595 122 V N 7.551 126.974 119.914 -0.819 0.000 2.525 122 V HA 0.305 4.425 4.120 -0.000 0.000 0.299 122 V C -2.210 173.345 176.094 -0.899 0.000 1.034 122 V CA -1.909 60.020 62.300 -0.617 0.000 0.863 122 V CB 1.765 33.470 31.823 -0.197 0.000 0.999 122 V HN 0.666 nan 8.190 nan 0.000 0.423 123 P HA 0.194 nan 4.420 nan 0.000 0.265 123 P C 1.059 178.356 177.300 -0.006 0.000 1.187 123 P CA 0.227 63.181 63.100 -0.244 0.000 0.766 123 P CB 0.686 32.385 31.700 -0.003 0.000 0.820 124 I N 1.596 122.238 120.570 0.119 0.000 2.361 124 I HA -0.205 3.965 4.170 -0.000 0.000 0.251 124 I C 1.857 178.039 176.117 0.109 0.000 1.133 124 I CA 1.363 62.754 61.300 0.151 0.000 1.413 124 I CB -0.372 37.621 38.000 -0.011 0.000 1.073 124 I HN 0.411 nan 8.210 nan 0.000 0.424 125 E N 0.459 120.702 120.200 0.071 0.000 2.347 125 E HA -0.182 4.168 4.350 -0.000 0.000 0.196 125 E C 1.836 178.471 176.600 0.058 0.000 1.008 125 E CA 0.639 57.072 56.400 0.054 0.000 0.852 125 E CB 0.023 29.748 29.700 0.043 0.000 0.783 125 E HN 0.570 nan 8.360 nan 0.000 0.505 126 E N 0.568 120.809 120.200 0.068 0.000 2.060 126 E HA -0.076 4.274 4.350 -0.000 0.000 0.189 126 E C 0.275 176.912 176.600 0.061 0.000 0.974 126 E CA 0.688 57.125 56.400 0.063 0.000 0.808 126 E CB 0.408 30.157 29.700 0.082 0.000 0.768 126 E HN -0.203 nan 8.360 nan 0.000 0.453 127 K N -0.412 120.057 120.400 0.115 0.000 2.589 127 K HA 0.202 4.522 4.320 -0.000 0.000 0.253 127 K C -2.334 174.395 176.600 0.214 0.000 0.974 127 K CA -0.548 55.801 56.287 0.104 0.000 0.835 127 K CB 0.973 33.507 32.500 0.056 0.000 1.272 127 K HN 0.062 nan 8.250 nan 0.000 0.444 128 Y N 4.029 124.356 120.300 0.046 0.000 2.401 128 Y HA 0.499 5.049 4.550 0.000 0.000 0.330 128 Y C -2.469 173.446 175.900 0.026 0.000 1.071 128 Y CA -1.781 56.365 58.100 0.077 0.000 1.049 128 Y CB 1.738 40.256 38.460 0.097 0.000 1.239 128 Y HN 0.597 nan 8.280 nan 0.000 0.437 129 P HA 0.265 nan 4.420 nan 0.000 0.274 129 P C -2.276 174.842 177.300 -0.304 0.000 1.231 129 P CA -1.251 61.385 63.100 -0.774 0.000 0.790 129 P CB 0.823 32.130 31.700 -0.656 0.000 0.951 130 P HA -0.077 nan 4.420 nan 0.000 0.222 130 P C 0.902 178.212 177.300 0.017 0.000 1.153 130 P CA 1.368 64.500 63.100 0.053 0.000 0.798 130 P CB -0.079 31.734 31.700 0.189 0.000 0.796 131 G N 0.827 109.523 108.800 -0.172 0.000 2.591 131 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.298 131 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.298 131 G C 0.411 175.499 174.900 0.314 0.000 1.195 131 G CA 0.388 45.350 45.100 -0.230 0.000 0.989 131 G HN 0.146 nan 8.290 nan 0.000 0.551 132 F N 0.576 120.557 119.950 0.051 0.000 2.789 132 F HA 0.341 4.868 4.527 -0.000 0.000 0.300 132 F C 1.205 176.715 175.800 -0.484 0.000 1.132 132 F CA -0.357 57.540 58.000 -0.172 0.000 1.404 132 F CB -0.734 38.087 39.000 -0.298 0.000 1.114 132 F HN 0.380 nan 8.300 nan 0.000 0.584 133 Y N 0.220 120.412 120.300 -0.180 0.000 2.632 133 Y HA 0.083 4.633 4.550 -0.000 0.000 0.329 133 Y C 0.557 176.289 175.900 -0.281 0.000 1.174 133 Y CA -0.613 57.334 58.100 -0.255 0.000 1.469 133 Y CB 0.500 38.867 38.460 -0.155 0.000 1.242 133 Y HN 0.058 nan 8.280 nan 0.000 0.540 134 C N 4.783 123.555 119.300 -0.881 0.000 2.863 134 C HA 0.385 4.845 4.460 -0.000 0.000 0.284 134 C C 1.355 175.844 174.990 -0.835 0.000 1.426 134 C CA -0.053 58.508 59.018 -0.762 0.000 1.782 134 C CB -0.584 26.737 27.740 -0.698 0.000 2.554 134 C HN 1.249 nan 8.230 nan 0.000 0.566 135 G N 1.924 109.773 108.800 -1.584 0.000 2.136 135 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.242 135 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.242 135 G C -0.361 174.278 174.900 -0.435 0.000 0.989 135 G CA 0.654 45.173 45.100 -0.968 0.000 0.682 135 G HN 0.554 nan 8.290 nan 0.000 0.522 136 D N -0.940 119.218 120.400 -0.404 0.000 2.823 136 D HA 0.552 5.192 4.640 -0.000 0.000 0.255 136 D C 1.263 177.525 176.300 -0.064 0.000 1.257 136 D CA 1.421 55.332 54.000 -0.147 0.000 0.803 136 D CB -0.143 40.557 40.800 -0.166 0.000 1.384 136 D HN 1.313 nan 8.370 nan 0.000 0.541 137 G N 2.644 111.501 108.800 0.094 0.000 2.622 137 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.307 137 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.307 137 G C 0.852 175.765 174.900 0.023 0.000 1.226 137 G CA 0.361 45.500 45.100 0.066 0.000 0.997 137 G HN 0.466 nan 8.290 nan 0.000 0.551 138 N N 2.261 120.929 118.700 -0.054 0.000 2.270 138 N HA 0.116 4.856 4.740 -0.000 0.000 0.198 138 N C 0.297 175.676 175.510 -0.217 0.000 1.117 138 N CA 0.078 53.054 53.050 -0.122 0.000 0.845 138 N CB -0.119 38.327 38.487 -0.068 0.000 0.980 138 N HN 0.421 nan 8.380 nan 0.000 0.486 139 N N 0.384 118.967 118.700 -0.195 0.000 2.525 139 N HA 0.124 4.864 4.740 -0.000 0.000 0.271 139 N C -0.450 174.838 175.510 -0.371 0.000 1.194 139 N CA 0.036 52.974 53.050 -0.187 0.000 0.964 139 N CB 0.563 38.978 38.487 -0.120 0.000 1.126 139 N HN -0.045 nan 8.380 nan 0.000 0.452 140 F N 0.504 120.259 119.950 -0.325 0.000 2.404 140 F HA 0.341 4.868 4.527 -0.000 0.000 0.345 140 F C 0.438 175.855 175.800 -0.639 0.000 1.110 140 F CA -0.500 57.149 58.000 -0.585 0.000 1.130 140 F CB 0.988 39.684 39.000 -0.507 0.000 1.129 140 F HN -0.012 nan 8.300 nan 0.000 0.500 141 V N 4.123 123.643 119.914 -0.656 0.000 2.638 141 V HA 0.417 4.537 4.120 -0.000 0.000 0.306 141 V C -0.985 174.758 176.094 -0.585 0.000 1.052 141 V CA -1.180 60.837 62.300 -0.473 0.000 0.885 141 V CB 1.559 33.216 31.823 -0.277 0.000 0.999 141 V HN 0.514 nan 8.190 nan 0.000 0.424 142 Y N 1.188 121.519 120.300 0.051 0.000 2.567 142 Y HA 0.657 5.207 4.550 -0.000 0.000 0.333 142 Y C 0.440 176.378 175.900 0.063 0.000 1.106 142 Y CA -1.015 57.139 58.100 0.089 0.000 1.157 142 Y CB 1.497 40.000 38.460 0.071 0.000 1.277 142 Y HN 0.569 nan 8.280 nan 0.000 0.490 143 E N 0.511 120.852 120.200 0.235 0.000 2.227 143 E HA 0.227 4.577 4.350 -0.000 0.000 0.268 143 E C -1.376 175.305 176.600 0.133 0.000 0.907 143 E CA -0.914 55.580 56.400 0.157 0.000 0.786 143 E CB 1.374 31.165 29.700 0.151 0.000 1.191 143 E HN 0.481 nan 8.360 nan 0.000 0.411 144 D N 2.023 122.484 120.400 0.102 0.000 2.713 144 D HA 0.123 4.763 4.640 -0.000 0.000 0.229 144 D C -0.851 175.498 176.300 0.083 0.000 1.136 144 D CA 0.164 54.210 54.000 0.077 0.000 1.010 144 D CB 0.289 41.124 40.800 0.058 0.000 1.084 144 D HN 0.009 nan 8.370 nan 0.000 0.495 145 V N 2.859 122.836 119.914 0.104 0.000 2.326 145 V HA 0.255 4.375 4.120 -0.000 0.000 0.281 145 V C -1.976 174.195 176.094 0.127 0.000 1.015 145 V CA -1.682 60.694 62.300 0.126 0.000 0.823 145 V CB 1.561 33.491 31.823 0.177 0.000 1.009 145 V HN 0.112 nan 8.190 nan 0.000 0.436 146 P HA 0.223 nan 4.420 nan 0.000 0.269 146 P C 1.302 178.680 177.300 0.129 0.000 1.209 146 P CA -0.349 62.803 63.100 0.086 0.000 0.776 146 P CB 0.683 32.422 31.700 0.066 0.000 0.876 147 I N 1.531 122.176 120.570 0.124 0.000 2.145 147 I HA -0.230 3.940 4.170 -0.000 0.000 0.244 147 I C 2.033 178.276 176.117 0.210 0.000 1.075 147 I CA 1.665 63.075 61.300 0.183 0.000 1.332 147 I CB -1.293 36.809 38.000 0.170 0.000 1.033 147 I HN 0.399 nan 8.210 nan 0.000 0.410 148 L N 0.939 122.259 121.223 0.161 0.000 2.127 148 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 148 L C 2.432 179.432 176.870 0.216 0.000 1.089 148 L CA 1.792 56.747 54.840 0.192 0.000 0.757 148 L CB -0.648 41.481 42.059 0.116 0.000 0.899 148 L HN 0.154 nan 8.230 nan 0.000 0.434 149 E N -0.834 119.464 120.200 0.163 0.000 2.072 149 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 149 E C 2.129 178.817 176.600 0.147 0.000 0.985 149 E CA 1.653 58.136 56.400 0.138 0.000 0.801 149 E CB -0.504 29.263 29.700 0.113 0.000 0.750 149 E HN 0.489 nan 8.360 nan 0.000 0.452 150 T N 0.940 115.593 114.554 0.165 0.000 2.788 150 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 150 T C 1.421 176.216 174.700 0.159 0.000 1.044 150 T CA 0.894 63.071 62.100 0.128 0.000 1.139 150 T CB -0.268 68.628 68.868 0.047 0.000 0.867 150 T HN 0.380 nan 8.240 nan 0.000 0.454 151 W N 2.288 123.608 121.300 0.032 0.000 2.355 151 W HA -0.104 4.556 4.660 0.000 0.000 0.309 151 W C 1.913 178.456 176.519 0.040 0.000 1.206 151 W CA 1.113 58.479 57.345 0.034 0.000 1.284 151 W CB -0.166 29.319 29.460 0.042 0.000 1.145 151 W HN 0.255 nan 8.180 nan 0.000 0.502 152 K N 0.208 120.706 120.400 0.164 0.000 2.103 152 K HA -0.174 4.145 4.320 -0.000 0.000 0.207 152 K C 2.265 178.846 176.600 -0.031 0.000 1.048 152 K CA 1.727 58.048 56.287 0.056 0.000 0.930 152 K CB -0.569 31.990 32.500 0.099 0.000 0.716 152 K HN 0.080 nan 8.250 nan 0.000 0.444 153 A N 1.350 124.167 122.820 -0.005 0.000 1.902 153 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 153 A C 2.109 179.652 177.584 -0.068 0.000 1.181 153 A CA 1.305 53.333 52.037 -0.014 0.000 0.623 153 A CB -0.612 18.404 19.000 0.027 0.000 0.818 153 A HN 0.166 nan 8.150 nan 0.000 0.443 154 L N -0.828 120.307 121.223 -0.146 0.000 2.056 154 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 154 L C 2.557 179.260 176.870 -0.278 0.000 1.078 154 L CA 1.548 56.255 54.840 -0.221 0.000 0.749 154 L CB -0.604 41.204 42.059 -0.418 0.000 0.901 154 L HN 0.464 nan 8.230 nan 0.000 0.433 155 E N 0.039 120.028 120.200 -0.352 0.000 2.110 155 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 155 E C 2.109 178.635 176.600 -0.123 0.000 0.988 155 E CA 1.016 57.267 56.400 -0.248 0.000 0.804 155 E CB 0.062 29.648 29.700 -0.190 0.000 0.745 155 E HN 0.248 nan 8.360 nan 0.000 0.458 156 K N 0.737 121.082 120.400 -0.093 0.000 2.057 156 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 156 K C 1.949 178.514 176.600 -0.059 0.000 1.049 156 K CA 0.857 57.110 56.287 -0.056 0.000 0.931 156 K CB -0.221 32.257 32.500 -0.037 0.000 0.714 156 K HN 0.078 nan 8.250 nan 0.000 0.440 157 L N -0.047 121.134 121.223 -0.070 0.000 2.201 157 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 157 L C 1.981 178.807 176.870 -0.072 0.000 1.105 157 L CA 0.541 55.340 54.840 -0.069 0.000 0.775 157 L CB -0.312 41.703 42.059 -0.072 0.000 0.913 157 L HN -0.032 nan 8.230 nan 0.000 0.440 158 V N -0.042 119.824 119.914 -0.080 0.000 2.453 158 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 158 V C 2.681 178.746 176.094 -0.047 0.000 1.048 158 V CA 1.654 63.916 62.300 -0.063 0.000 1.049 158 V CB -0.623 31.161 31.823 -0.066 0.000 0.672 158 V HN 0.462 nan 8.190 nan 0.000 0.457 159 A N -0.058 122.734 122.820 -0.046 0.000 2.015 159 A HA 0.045 4.365 4.320 -0.000 0.000 0.219 159 A C 2.255 179.818 177.584 -0.036 0.000 1.163 159 A CA 1.551 53.567 52.037 -0.034 0.000 0.646 159 A CB -0.473 18.510 19.000 -0.029 0.000 0.806 159 A HN 0.548 nan 8.150 nan 0.000 0.448 160 A N -1.724 121.071 122.820 -0.042 0.000 2.206 160 A HA 0.385 4.705 4.320 -0.000 0.000 0.211 160 A C 1.881 179.438 177.584 -0.045 0.000 1.158 160 A CA 1.273 53.285 52.037 -0.040 0.000 0.761 160 A CB -0.866 18.109 19.000 -0.042 0.000 0.801 160 A HN 1.816 nan 8.150 nan 0.000 0.473 161 G N -0.673 108.095 108.800 -0.053 0.000 2.159 161 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.256 161 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.256 161 G C 0.877 175.741 174.900 -0.059 0.000 0.977 161 G CA 0.756 45.814 45.100 -0.070 0.000 0.652 161 G HN 0.528 nan 8.290 nan 0.000 0.531 162 K N -0.665 119.706 120.400 -0.048 0.000 2.365 162 K HA 0.342 4.662 4.320 -0.000 0.000 0.197 162 K C 0.838 177.416 176.600 -0.038 0.000 1.042 162 K CA 0.640 56.905 56.287 -0.036 0.000 0.987 162 K CB 0.413 32.862 32.500 -0.084 0.000 0.779 162 K HN 0.511 nan 8.250 nan 0.000 0.484 163 I N 0.271 120.809 120.570 -0.054 0.000 2.582 163 I HA 0.130 4.300 4.170 -0.000 0.000 0.292 163 I C 0.317 176.405 176.117 -0.048 0.000 1.066 163 I CA -0.628 60.643 61.300 -0.047 0.000 1.053 163 I CB 2.294 40.261 38.000 -0.055 0.000 1.241 163 I HN -0.297 nan 8.210 nan 0.000 0.421 164 K N 2.061 122.418 120.400 -0.070 0.000 2.029 164 K HA 0.237 4.557 4.320 -0.000 0.000 0.205 164 K C 0.144 176.764 176.600 0.034 0.000 1.042 164 K CA 1.066 57.256 56.287 -0.163 0.000 0.949 164 K CB 0.183 32.395 32.500 -0.479 0.000 0.740 164 K HN 0.569 nan 8.250 nan 0.000 0.442 165 S N -0.238 115.494 115.700 0.052 0.000 2.568 165 S HA 0.627 5.097 4.470 -0.000 0.000 0.293 165 S C -0.590 174.080 174.600 0.116 0.000 1.089 165 S CA -0.947 57.342 58.200 0.148 0.000 0.945 165 S CB 1.772 65.118 63.200 0.243 0.000 1.077 165 S HN 0.269 nan 8.310 nan 0.000 0.485 166 I N -1.174 119.458 120.570 0.103 0.000 2.785 166 I HA 1.034 5.204 4.170 -0.000 0.000 0.302 166 I C 0.061 176.328 176.117 0.251 0.000 1.069 166 I CA -0.850 60.492 61.300 0.070 0.000 1.045 166 I CB 1.917 39.750 38.000 -0.278 0.000 1.236 166 I HN 0.766 nan 8.210 nan 0.000 0.429 167 G N 2.806 111.772 108.800 0.277 0.000 2.706 167 G HA2 0.684 4.644 3.960 -0.000 0.000 0.307 167 G HA3 0.684 4.644 3.960 -0.000 0.000 0.307 167 G C -1.268 173.718 174.900 0.143 0.000 1.307 167 G CA -0.242 45.016 45.100 0.264 0.000 0.790 167 G HN 1.113 nan 8.290 nan 0.000 0.503 168 V N -3.034 116.813 119.914 -0.112 0.000 3.078 168 V HA 0.930 5.050 4.120 -0.000 0.000 0.311 168 V C -0.448 175.541 176.094 -0.175 0.000 1.138 168 V CA -0.863 61.233 62.300 -0.341 0.000 1.007 168 V CB 1.517 32.582 31.823 -1.263 0.000 1.045 168 V HN 0.851 nan 8.190 nan 0.000 0.432 169 S N 1.476 117.157 115.700 -0.031 0.000 2.500 169 S HA 0.600 5.070 4.470 -0.000 0.000 0.301 169 S C -0.044 174.699 174.600 0.238 0.000 1.092 169 S CA -0.332 57.932 58.200 0.107 0.000 1.030 169 S CB 1.008 64.256 63.200 0.080 0.000 1.031 169 S HN 1.171 nan 8.310 nan 0.000 0.483 170 N N 0.320 119.194 118.700 0.290 0.000 2.758 170 N HA -0.171 4.569 4.740 -0.000 0.000 0.248 170 N C -1.453 174.322 175.510 0.441 0.000 1.076 170 N CA 0.422 53.713 53.050 0.400 0.000 0.696 170 N CB -1.264 37.353 38.487 0.217 0.000 0.979 170 N HN 0.346 nan 8.380 nan 0.000 0.550 171 F N 1.099 121.116 119.950 0.111 0.000 2.415 171 F HA 0.475 5.002 4.527 -0.000 0.000 0.348 171 F C -1.551 174.299 175.800 0.084 0.000 1.119 171 F CA -2.445 55.579 58.000 0.040 0.000 1.069 171 F CB 0.884 39.892 39.000 0.012 0.000 1.124 171 F HN -0.114 nan 8.300 nan 0.000 0.472 172 P HA 0.185 nan 4.420 nan 0.000 0.277 172 P C 0.690 178.048 177.300 0.096 0.000 1.271 172 P CA -0.198 62.985 63.100 0.138 0.000 0.795 172 P CB 0.888 32.608 31.700 0.033 0.000 1.101 173 G N 0.554 109.380 108.800 0.044 0.000 2.491 173 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.218 173 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.218 173 G C 1.644 176.470 174.900 -0.123 0.000 1.180 173 G CA 1.325 46.396 45.100 -0.049 0.000 0.774 173 G HN 0.606 nan 8.290 nan 0.000 0.562 174 A N -0.141 122.605 122.820 -0.124 0.000 1.978 174 A HA 0.075 4.395 4.320 -0.000 0.000 0.220 174 A C 2.367 179.906 177.584 -0.076 0.000 1.170 174 A CA 1.687 53.648 52.037 -0.126 0.000 0.636 174 A CB -0.327 18.605 19.000 -0.114 0.000 0.810 174 A HN 0.390 nan 8.150 nan 0.000 0.448 175 L N -1.155 120.038 121.223 -0.049 0.000 2.095 175 L HA 0.005 4.345 4.340 -0.000 0.000 0.204 175 L C 2.240 179.190 176.870 0.133 0.000 1.080 175 L CA 1.549 56.373 54.840 -0.026 0.000 0.759 175 L CB -0.479 41.472 42.059 -0.180 0.000 0.914 175 L HN 0.390 nan 8.230 nan 0.000 0.439 176 L N -1.060 120.292 121.223 0.214 0.000 2.046 176 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 176 L C 2.301 179.254 176.870 0.139 0.000 1.077 176 L CA 1.740 56.709 54.840 0.215 0.000 0.747 176 L CB -0.786 41.421 42.059 0.246 0.000 0.896 176 L HN 0.325 nan 8.230 nan 0.000 0.432 177 L N -0.156 121.136 121.223 0.115 0.000 1.989 177 L HA -0.249 4.091 4.340 -0.000 0.000 0.211 177 L C 2.159 179.049 176.870 0.033 0.000 1.071 177 L CA 2.412 57.304 54.840 0.086 0.000 0.749 177 L CB -1.036 40.956 42.059 -0.111 0.000 0.890 177 L HN 0.471 nan 8.230 nan 0.000 0.431 178 D N -1.187 119.212 120.400 -0.002 0.000 2.144 178 D HA -0.221 4.419 4.640 -0.000 0.000 0.199 178 D C 2.117 178.403 176.300 -0.023 0.000 0.984 178 D CA 1.290 55.282 54.000 -0.014 0.000 0.834 178 D CB -0.137 40.648 40.800 -0.025 0.000 0.955 178 D HN 0.328 nan 8.370 nan 0.000 0.465 179 L N 0.153 121.356 121.223 -0.032 0.000 2.083 179 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 179 L C 1.936 178.696 176.870 -0.183 0.000 1.083 179 L CA 1.454 56.211 54.840 -0.139 0.000 0.752 179 L CB -0.514 41.412 42.059 -0.222 0.000 0.899 179 L HN 0.163 nan 8.230 nan 0.000 0.433 180 L N -0.882 120.279 121.223 -0.104 0.000 2.191 180 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 180 L C 2.682 179.535 176.870 -0.028 0.000 1.103 180 L CA 0.959 55.758 54.840 -0.069 0.000 0.769 180 L CB -0.439 41.622 42.059 0.004 0.000 0.908 180 L HN 0.263 nan 8.230 nan 0.000 0.438 181 R N -0.475 120.016 120.500 -0.016 0.000 2.090 181 R HA -0.047 4.293 4.340 -0.000 0.000 0.228 181 R C 2.099 178.401 176.300 0.003 0.000 1.110 181 R CA 1.194 57.294 56.100 0.000 0.000 0.973 181 R CB -0.318 29.982 30.300 0.001 0.000 0.869 181 R HN 0.371 nan 8.270 nan 0.000 0.440 182 G N -0.181 108.615 108.800 -0.008 0.000 3.020 182 G HA2 0.230 4.190 3.960 -0.000 0.000 0.217 182 G HA3 0.230 4.190 3.960 -0.000 0.000 0.217 182 G C 0.135 175.067 174.900 0.054 0.000 1.144 182 G CA 0.020 45.133 45.100 0.022 0.000 0.760 182 G HN 0.296 nan 8.290 nan 0.000 0.548 183 A N 0.095 122.924 122.820 0.015 0.000 2.425 183 A HA 0.555 4.875 4.320 -0.000 0.000 0.249 183 A C 1.339 179.024 177.584 0.169 0.000 1.084 183 A CA 0.409 52.519 52.037 0.122 0.000 0.781 183 A CB 0.623 19.607 19.000 -0.027 0.000 1.019 183 A HN 0.089 nan 8.150 nan 0.000 0.490 184 T N 2.061 116.759 114.554 0.240 0.000 2.953 184 T HA 0.169 4.519 4.350 -0.000 0.000 0.247 184 T C 0.672 175.471 174.700 0.165 0.000 1.029 184 T CA 0.808 62.999 62.100 0.152 0.000 1.144 184 T CB -0.136 68.802 68.868 0.117 0.000 0.870 184 T HN 0.525 nan 8.240 nan 0.000 0.446 185 I N 2.911 123.628 120.570 0.246 0.000 2.297 185 I HA 0.214 4.384 4.170 -0.000 0.000 0.291 185 I C -0.173 176.178 176.117 0.390 0.000 1.033 185 I CA -0.901 60.537 61.300 0.229 0.000 1.253 185 I CB 0.883 38.968 38.000 0.142 0.000 1.396 185 I HN -0.083 nan 8.210 nan 0.000 0.476 186 K N 7.953 128.491 120.400 0.231 0.000 2.382 186 K HA 0.219 4.539 4.320 -0.000 0.000 0.275 186 K C -2.241 174.509 176.600 0.250 0.000 1.009 186 K CA -1.750 54.637 56.287 0.166 0.000 0.970 186 K CB -0.002 32.530 32.500 0.053 0.000 0.934 186 K HN 0.298 nan 8.250 nan 0.000 0.479 187 P HA -0.004 nan 4.420 nan 0.000 0.266 187 P C -0.136 177.225 177.300 0.101 0.000 1.215 187 P CA 0.157 63.357 63.100 0.166 0.000 0.763 187 P CB 0.662 32.209 31.700 -0.256 0.000 0.806 188 A N 4.073 126.988 122.820 0.159 0.000 2.072 188 A HA 0.152 4.472 4.320 -0.000 0.000 0.216 188 A C 0.843 178.462 177.584 0.060 0.000 1.156 188 A CA 0.991 53.088 52.037 0.100 0.000 0.701 188 A CB 0.124 19.209 19.000 0.141 0.000 0.816 188 A HN 0.440 nan 8.150 nan 0.000 0.458 189 V N -0.209 119.744 119.914 0.064 0.000 2.841 189 V HA 0.483 4.603 4.120 -0.000 0.000 0.310 189 V C -1.405 174.683 176.094 -0.009 0.000 1.090 189 V CA -0.645 61.674 62.300 0.032 0.000 0.930 189 V CB 1.894 33.762 31.823 0.075 0.000 1.014 189 V HN 0.323 nan 8.190 nan 0.000 0.425 190 L N 3.991 125.199 121.223 -0.025 0.000 2.342 190 L HA 0.591 4.931 4.340 -0.000 0.000 0.276 190 L C -0.433 176.445 176.870 0.013 0.000 0.997 190 L CA 0.127 54.948 54.840 -0.030 0.000 0.838 190 L CB 1.540 43.577 42.059 -0.036 0.000 1.224 190 L HN 0.817 nan 8.230 nan 0.000 0.416 191 Q N 4.833 124.670 119.800 0.062 0.000 2.347 191 Q HA 0.705 5.045 4.340 -0.000 0.000 0.262 191 Q C -1.371 174.753 176.000 0.207 0.000 0.980 191 Q CA -0.662 55.224 55.803 0.138 0.000 0.867 191 Q CB 1.446 30.292 28.738 0.180 0.000 1.242 191 Q HN 0.681 nan 8.270 nan 0.000 0.453 192 V N 0.321 120.300 119.914 0.108 0.000 3.102 192 V HA 0.526 4.646 4.120 -0.000 0.000 0.312 192 V C -0.498 175.296 176.094 -0.500 0.000 1.135 192 V CA -1.218 61.077 62.300 -0.008 0.000 1.022 192 V CB 1.752 33.573 31.823 -0.003 0.000 1.056 192 V HN 0.866 nan 8.190 nan 0.000 0.436 193 E N 1.363 121.093 120.200 -0.783 0.000 2.366 193 E HA 0.232 4.582 4.350 -0.000 0.000 0.266 193 E C -1.177 175.206 176.600 -0.362 0.000 1.015 193 E CA 0.191 56.005 56.400 -0.977 0.000 0.906 193 E CB 0.215 29.660 29.700 -0.425 0.000 0.979 193 E HN 0.938 nan 8.360 nan 0.000 0.443 194 H N 3.723 122.581 119.070 -0.354 0.000 3.083 194 H HA 0.335 4.891 4.556 -0.000 0.000 0.339 194 H C -1.473 173.866 175.328 0.018 0.000 1.020 194 H CA -0.457 55.462 56.048 -0.216 0.000 1.360 194 H CB 0.717 30.393 29.762 -0.143 0.000 1.811 194 H HN 0.710 nan 8.280 nan 0.000 0.493 195 H N 1.319 120.257 119.070 -0.220 0.000 2.902 195 H HA 0.301 4.856 4.556 -0.000 0.000 0.297 195 H C -2.724 172.470 175.328 -0.223 0.000 1.406 195 H CA -2.202 53.780 56.048 -0.110 0.000 1.134 195 H CB 0.223 29.950 29.762 -0.059 0.000 1.833 195 H HN 0.286 nan 8.280 nan 0.000 0.527 196 P HA -0.129 nan 4.420 nan 0.000 0.221 196 P C 0.344 177.519 177.300 -0.208 0.000 1.145 196 P CA 1.446 64.204 63.100 -0.571 0.000 0.795 196 P CB -0.016 31.125 31.700 -0.931 0.000 0.775 197 Y N -2.024 118.414 120.300 0.231 0.000 2.517 197 Y HA 0.272 4.822 4.550 -0.000 0.000 0.281 197 Y C 1.122 177.076 175.900 0.090 0.000 1.125 197 Y CA -0.233 57.984 58.100 0.194 0.000 1.283 197 Y CB -0.175 38.460 38.460 0.291 0.000 1.042 197 Y HN -0.136 nan 8.280 nan 0.000 0.547 198 L N 0.305 121.514 121.223 -0.024 0.000 2.480 198 L HA 0.342 4.682 4.340 -0.000 0.000 0.253 198 L C 0.421 177.163 176.870 -0.213 0.000 1.324 198 L CA 0.161 54.868 54.840 -0.221 0.000 0.916 198 L CB 0.766 42.557 42.059 -0.446 0.000 1.160 198 L HN -0.017 nan 8.230 nan 0.000 0.503 199 Q N 0.646 120.429 119.800 -0.028 0.000 2.269 199 Q HA 0.073 4.413 4.340 -0.000 0.000 0.201 199 Q C -0.044 176.054 176.000 0.162 0.000 0.946 199 Q CA 0.329 56.187 55.803 0.092 0.000 0.877 199 Q CB 0.166 29.017 28.738 0.188 0.000 0.963 199 Q HN 0.639 nan 8.270 nan 0.000 0.472 200 Q N 0.548 120.390 119.800 0.070 0.000 2.402 200 Q HA -0.194 4.146 4.340 -0.000 0.000 0.356 200 Q C -1.810 174.222 176.000 0.054 0.000 1.344 200 Q CA 0.217 56.050 55.803 0.048 0.000 1.062 200 Q CB -0.838 27.918 28.738 0.030 0.000 1.268 200 Q HN 0.426 nan 8.270 nan 0.000 0.383 201 P HA -0.209 nan 4.420 nan 0.000 0.218 201 P C 0.720 178.028 177.300 0.014 0.000 1.148 201 P CA 1.293 64.412 63.100 0.031 0.000 0.822 201 P CB 0.160 31.883 31.700 0.038 0.000 0.784 202 K N -0.721 119.693 120.400 0.023 0.000 2.057 202 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 202 K C 2.266 178.905 176.600 0.065 0.000 1.050 202 K CA 0.788 57.094 56.287 0.031 0.000 0.935 202 K CB -0.701 31.809 32.500 0.016 0.000 0.715 202 K HN 0.059 nan 8.250 nan 0.000 0.439 203 L N 1.549 122.807 121.223 0.058 0.000 1.994 203 L HA -0.176 4.163 4.340 -0.000 0.000 0.208 203 L C 1.941 178.865 176.870 0.090 0.000 1.071 203 L CA 1.573 56.473 54.840 0.100 0.000 0.745 203 L CB -0.355 41.747 42.059 0.071 0.000 0.892 203 L HN 0.077 nan 8.230 nan 0.000 0.431 204 I N 0.062 120.631 120.570 -0.002 0.000 2.151 204 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 204 I C 2.584 178.659 176.117 -0.070 0.000 1.080 204 I CA 1.866 63.115 61.300 -0.084 0.000 1.339 204 I CB -1.426 36.477 38.000 -0.163 0.000 1.039 204 I HN 0.556 nan 8.210 nan 0.000 0.409 205 E N 0.552 120.734 120.200 -0.029 0.000 2.051 205 E HA -0.273 4.077 4.350 -0.000 0.000 0.192 205 E C 2.345 178.942 176.600 -0.004 0.000 0.991 205 E CA 1.213 57.596 56.400 -0.030 0.000 0.799 205 E CB -0.252 29.444 29.700 -0.006 0.000 0.748 205 E HN 0.334 nan 8.360 nan 0.000 0.449 206 F N 1.297 121.214 119.950 -0.056 0.000 2.075 206 F HA -0.146 4.381 4.527 -0.000 0.000 0.297 206 F C 2.054 177.823 175.800 -0.052 0.000 1.113 206 F CA 1.810 59.782 58.000 -0.047 0.000 1.218 206 F CB -0.771 38.208 39.000 -0.036 0.000 0.984 206 F HN 0.080 nan 8.300 nan 0.000 0.472 207 A N 0.128 122.768 122.820 -0.299 0.000 1.902 207 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 207 A C 2.181 179.563 177.584 -0.337 0.000 1.181 207 A CA 1.820 53.624 52.037 -0.389 0.000 0.623 207 A CB -0.900 18.024 19.000 -0.127 0.000 0.818 207 A HN 0.639 nan 8.150 nan 0.000 0.443 208 Q N -0.416 119.244 119.800 -0.233 0.000 2.084 208 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 208 Q C 1.932 177.812 176.000 -0.200 0.000 0.978 208 Q CA 1.585 57.274 55.803 -0.191 0.000 0.844 208 Q CB -0.199 28.445 28.738 -0.157 0.000 0.898 208 Q HN 0.642 nan 8.270 nan 0.000 0.426 209 K N 0.157 120.426 120.400 -0.219 0.000 2.288 209 K HA -0.004 4.316 4.320 -0.000 0.000 0.201 209 K C 1.590 178.047 176.600 -0.238 0.000 1.048 209 K CA 0.826 57.001 56.287 -0.187 0.000 0.956 209 K CB 0.116 32.537 32.500 -0.130 0.000 0.746 209 K HN 0.066 nan 8.250 nan 0.000 0.461 210 A N 0.514 123.096 122.820 -0.396 0.000 2.278 210 A HA 0.228 4.548 4.320 -0.000 0.000 0.212 210 A C 1.321 178.761 177.584 -0.241 0.000 1.213 210 A CA 0.652 52.460 52.037 -0.382 0.000 0.840 210 A CB -0.310 18.280 19.000 -0.684 0.000 0.866 210 A HN 0.381 nan 8.150 nan 0.000 0.489 211 G N -1.451 107.230 108.800 -0.198 0.000 2.159 211 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.256 211 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.256 211 G C 0.171 175.000 174.900 -0.118 0.000 0.977 211 G CA 0.206 45.227 45.100 -0.132 0.000 0.652 211 G HN 0.809 nan 8.290 nan 0.000 0.531 212 V N 1.526 121.346 119.914 -0.157 0.000 2.498 212 V HA 0.524 4.644 4.120 -0.000 0.000 0.279 212 V C 0.972 177.003 176.094 -0.105 0.000 1.048 212 V CA 0.121 62.350 62.300 -0.119 0.000 0.967 212 V CB 1.485 33.221 31.823 -0.144 0.000 0.988 212 V HN 0.285 nan 8.190 nan 0.000 0.473 213 T N 6.236 120.749 114.554 -0.067 0.000 2.869 213 T HA 0.442 4.792 4.350 -0.000 0.000 0.295 213 T C 0.002 174.660 174.700 -0.069 0.000 0.987 213 T CA -0.192 61.867 62.100 -0.068 0.000 1.109 213 T CB 0.476 69.319 68.868 -0.042 0.000 0.932 213 T HN 0.292 nan 8.240 nan 0.000 0.518 214 I N 3.234 123.746 120.570 -0.097 0.000 2.396 214 I HA 0.298 4.468 4.170 -0.000 0.000 0.292 214 I C 0.634 176.703 176.117 -0.079 0.000 0.999 214 I CA -0.329 60.907 61.300 -0.108 0.000 1.310 214 I CB 1.117 39.005 38.000 -0.188 0.000 1.404 214 I HN 0.557 nan 8.210 nan 0.000 0.496 215 T N 5.349 119.882 114.554 -0.035 0.000 2.812 215 T HA 0.636 4.986 4.350 -0.000 0.000 0.282 215 T C -0.059 174.665 174.700 0.041 0.000 0.990 215 T CA -0.488 61.621 62.100 0.016 0.000 0.960 215 T CB 1.741 70.649 68.868 0.067 0.000 0.948 215 T HN 0.716 nan 8.240 nan 0.000 0.438 216 A N 3.409 126.258 122.820 0.048 0.000 2.305 216 A HA 0.821 5.141 4.320 -0.000 0.000 0.322 216 A C -0.996 176.697 177.584 0.181 0.000 1.187 216 A CA -0.694 51.391 52.037 0.080 0.000 0.825 216 A CB 0.355 19.429 19.000 0.123 0.000 1.164 216 A HN 0.880 nan 8.150 nan 0.000 0.498 217 Y N -0.278 120.102 120.300 0.133 0.000 2.545 217 Y HA 0.670 5.220 4.550 -0.000 0.000 0.348 217 Y C 0.172 176.166 175.900 0.156 0.000 1.002 217 Y CA -0.710 57.450 58.100 0.099 0.000 1.039 217 Y CB 1.799 40.294 38.460 0.059 0.000 1.271 217 Y HN 0.536 nan 8.280 nan 0.000 0.467 218 S N -0.803 115.071 115.700 0.290 0.000 3.009 218 S HA 0.125 4.595 4.470 -0.000 0.000 0.254 218 S C 0.681 175.395 174.600 0.190 0.000 1.004 218 S CA 0.070 58.439 58.200 0.282 0.000 1.119 218 S CB -0.230 63.112 63.200 0.238 0.000 1.075 218 S HN 0.644 nan 8.310 nan 0.000 0.618 219 S N 1.959 117.705 115.700 0.077 0.000 2.406 219 S HA -0.130 4.340 4.470 -0.000 0.000 0.242 219 S C 0.481 174.847 174.600 -0.391 0.000 1.079 219 S CA 1.789 59.683 58.200 -0.509 0.000 1.133 219 S CB -0.525 61.711 63.200 -1.608 0.000 1.005 219 S HN 0.673 nan 8.310 nan 0.000 0.443 240 F N 1.504 121.440 119.950 -0.023 0.000 2.502 240 F HA 0.091 4.618 4.527 -0.000 0.000 0.298 240 F C 2.075 177.881 175.800 0.009 0.000 1.111 240 F CA 1.233 59.224 58.000 -0.014 0.000 1.445 240 F CB -0.242 38.750 39.000 -0.014 0.000 1.081 240 F HN 0.096 nan 8.300 nan 0.000 0.558 241 A N -2.075 120.878 122.820 0.220 0.000 2.470 241 A HA 0.129 4.449 4.320 -0.000 0.000 0.251 241 A C 0.103 177.750 177.584 0.104 0.000 1.245 241 A CA -0.221 51.894 52.037 0.130 0.000 0.932 241 A CB -1.007 18.055 19.000 0.104 0.000 1.037 241 A HN 0.290 nan 8.150 nan 0.000 0.522 242 H N 0.106 119.197 119.070 0.035 0.000 2.732 242 H HA 0.247 4.803 4.556 -0.000 0.000 0.351 242 H C 0.741 176.064 175.328 -0.009 0.000 1.090 242 H CA 0.378 56.437 56.048 0.017 0.000 1.431 242 H CB 0.732 30.484 29.762 -0.017 0.000 1.447 242 H HN 0.242 nan 8.280 nan 0.000 0.582 243 D N 1.989 122.095 120.400 -0.489 0.000 2.116 243 D HA -0.169 4.471 4.640 -0.000 0.000 0.193 243 D C 1.636 177.877 176.300 -0.097 0.000 0.998 243 D CA 2.230 56.071 54.000 -0.265 0.000 0.836 243 D CB 0.031 40.648 40.800 -0.305 0.000 0.951 243 D HN 0.674 nan 8.370 nan 0.000 0.449 244 T N 0.409 114.993 114.554 0.050 0.000 2.737 244 T HA -0.071 4.279 4.350 -0.000 0.000 0.265 244 T C 1.865 176.602 174.700 0.062 0.000 1.038 244 T CA 0.500 62.684 62.100 0.140 0.000 1.144 244 T CB -0.008 69.002 68.868 0.236 0.000 0.866 244 T HN 0.078 nan 8.240 nan 0.000 0.434 245 I N 1.370 121.987 120.570 0.078 0.000 2.252 245 I HA -0.052 4.118 4.170 -0.000 0.000 0.245 245 I C 2.278 178.374 176.117 -0.035 0.000 1.102 245 I CA 1.297 62.566 61.300 -0.052 0.000 1.385 245 I CB -0.960 36.964 38.000 -0.128 0.000 1.064 245 I HN 0.274 nan 8.210 nan 0.000 0.414 246 K N 1.013 121.408 120.400 -0.008 0.000 2.026 246 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 246 K C 2.268 178.852 176.600 -0.027 0.000 1.048 246 K CA 1.655 57.932 56.287 -0.016 0.000 0.929 246 K CB -0.206 32.287 32.500 -0.012 0.000 0.713 246 K HN 0.275 nan 8.250 nan 0.000 0.439 247 A N 1.761 124.563 122.820 -0.029 0.000 1.851 247 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 247 A C 2.179 179.738 177.584 -0.043 0.000 1.195 247 A CA 1.539 53.553 52.037 -0.039 0.000 0.622 247 A CB -0.794 18.185 19.000 -0.036 0.000 0.831 247 A HN 0.201 nan 8.150 nan 0.000 0.444 248 I N -0.328 120.233 120.570 -0.016 0.000 2.194 248 I HA -0.347 3.823 4.170 -0.000 0.000 0.246 248 I C 2.985 179.145 176.117 0.071 0.000 1.093 248 I CA 1.182 62.505 61.300 0.039 0.000 1.355 248 I CB -0.353 37.688 38.000 0.068 0.000 1.046 248 I HN 0.416 nan 8.210 nan 0.000 0.413 249 A N 0.667 123.493 122.820 0.011 0.000 1.845 249 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 249 A C 2.526 180.082 177.584 -0.047 0.000 1.195 249 A CA 1.907 53.931 52.037 -0.023 0.000 0.616 249 A CB -1.099 17.875 19.000 -0.043 0.000 0.832 249 A HN 0.427 nan 8.150 nan 0.000 0.443 250 A N -0.718 122.072 122.820 -0.050 0.000 2.076 250 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 250 A C 2.118 179.644 177.584 -0.098 0.000 1.160 250 A CA 1.982 53.983 52.037 -0.061 0.000 0.653 250 A CB -0.438 18.532 19.000 -0.050 0.000 0.801 250 A HN 0.518 nan 8.150 nan 0.000 0.455 251 K N -1.391 118.928 120.400 -0.135 0.000 2.062 251 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 251 K C 0.997 177.383 176.600 -0.356 0.000 1.051 251 K CA 1.405 57.534 56.287 -0.264 0.000 0.941 251 K CB -0.189 32.090 32.500 -0.368 0.000 0.719 251 K HN 0.567 nan 8.250 nan 0.000 0.440 252 Y N 0.717 120.898 120.300 -0.199 0.000 2.457 252 Y HA 0.160 4.710 4.550 -0.000 0.000 0.263 252 Y C 0.272 175.999 175.900 -0.288 0.000 1.164 252 Y CA 0.012 57.932 58.100 -0.299 0.000 1.274 252 Y CB -0.108 37.980 38.460 -0.619 0.000 1.097 252 Y HN 0.233 nan 8.280 nan 0.000 0.523 253 N N 1.647 120.291 118.700 -0.093 0.000 2.746 253 N HA -0.176 4.564 4.740 -0.000 0.000 0.250 253 N C -1.200 174.253 175.510 -0.094 0.000 1.055 253 N CA 0.108 53.112 53.050 -0.077 0.000 0.699 253 N CB -0.456 37.999 38.487 -0.053 0.000 0.919 253 N HN 0.144 nan 8.380 nan 0.000 0.548 254 K N -0.193 120.134 120.400 -0.121 0.000 2.349 254 K HA 0.463 4.783 4.320 -0.000 0.000 0.243 254 K C 0.424 176.998 176.600 -0.043 0.000 1.058 254 K CA -0.401 55.822 56.287 -0.107 0.000 0.871 254 K CB 0.347 32.705 32.500 -0.236 0.000 1.337 254 K HN 0.216 nan 8.250 nan 0.000 0.469 255 T N -2.153 112.401 114.554 0.001 0.000 2.882 255 T HA 0.244 4.594 4.350 -0.000 0.000 0.287 255 T C -1.928 172.753 174.700 -0.031 0.000 1.014 255 T CA -1.534 60.578 62.100 0.020 0.000 1.049 255 T CB 1.024 69.935 68.868 0.073 0.000 1.001 255 T HN 0.099 nan 8.240 nan 0.000 0.525 256 P HA 0.004 nan 4.420 nan 0.000 0.218 256 P C 1.569 178.658 177.300 -0.353 0.000 1.149 256 P CA 1.144 64.128 63.100 -0.194 0.000 0.817 256 P CB -0.222 31.359 31.700 -0.199 0.000 0.785 257 A N 0.089 122.713 122.820 -0.326 0.000 1.898 257 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 257 A C 2.113 179.599 177.584 -0.163 0.000 1.181 257 A CA 1.542 53.396 52.037 -0.304 0.000 0.620 257 A CB -1.157 17.860 19.000 0.028 0.000 0.819 257 A HN 0.169 nan 8.150 nan 0.000 0.442 258 E N -0.293 119.885 120.200 -0.037 0.000 2.153 258 E HA -0.122 4.227 4.350 -0.000 0.000 0.194 258 E C 1.929 178.553 176.600 0.039 0.000 0.988 258 E CA 1.249 57.677 56.400 0.045 0.000 0.811 258 E CB -0.236 29.585 29.700 0.203 0.000 0.746 258 E HN 0.455 nan 8.360 nan 0.000 0.466 259 V N 1.255 121.185 119.914 0.027 0.000 2.379 259 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 259 V C 2.275 178.344 176.094 -0.042 0.000 1.044 259 V CA 1.315 63.661 62.300 0.078 0.000 1.036 259 V CB -0.422 31.394 31.823 -0.011 0.000 0.664 259 V HN 0.237 nan 8.190 nan 0.000 0.453 260 L N -0.599 120.523 121.223 -0.168 0.000 2.017 260 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 260 L C 2.443 179.292 176.870 -0.034 0.000 1.073 260 L CA 1.557 56.322 54.840 -0.125 0.000 0.745 260 L CB -0.604 41.294 42.059 -0.268 0.000 0.894 260 L HN 0.277 nan 8.230 nan 0.000 0.432 261 L N -0.645 120.406 121.223 -0.286 0.000 2.046 261 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 261 L C 2.813 179.349 176.870 -0.558 0.000 1.077 261 L CA 1.051 55.538 54.840 -0.588 0.000 0.747 261 L CB -0.465 40.791 42.059 -1.338 0.000 0.896 261 L HN 0.196 nan 8.230 nan 0.000 0.432 262 R N -0.245 119.987 120.500 -0.446 0.000 2.081 262 R HA -0.239 4.101 4.340 -0.000 0.000 0.235 262 R C 2.054 178.337 176.300 -0.027 0.000 1.131 262 R CA 1.539 57.516 56.100 -0.204 0.000 0.960 262 R CB -0.877 29.209 30.300 -0.356 0.000 0.856 262 R HN 0.434 nan 8.270 nan 0.000 0.436 263 W N 0.591 121.804 121.300 -0.145 0.000 2.321 263 W HA -0.224 4.436 4.660 0.000 0.000 0.306 263 W C 1.811 178.408 176.519 0.130 0.000 1.217 263 W CA 2.566 59.916 57.345 0.007 0.000 1.257 263 W CB -0.668 28.768 29.460 -0.039 0.000 1.145 263 W HN 0.193 nan 8.180 nan 0.000 0.509 264 A N 0.561 123.365 122.820 -0.026 0.000 1.843 264 A HA 0.089 4.409 4.320 -0.000 0.000 0.213 264 A C 2.169 179.674 177.584 -0.132 0.000 1.202 264 A CA 2.398 54.306 52.037 -0.216 0.000 0.607 264 A CB -1.633 17.346 19.000 -0.035 0.000 0.847 264 A HN 0.457 nan 8.150 nan 0.000 0.445 265 A N -0.734 122.068 122.820 -0.029 0.000 1.927 265 A HA -0.309 4.011 4.320 -0.000 0.000 0.220 265 A C 2.162 179.740 177.584 -0.011 0.000 1.185 265 A CA 2.073 54.129 52.037 0.031 0.000 0.639 265 A CB -0.687 18.444 19.000 0.218 0.000 0.820 265 A HN 0.657 nan 8.150 nan 0.000 0.451 266 Q N -1.061 118.738 119.800 -0.002 0.000 2.436 266 Q HA -0.020 4.320 4.340 -0.000 0.000 0.209 266 Q C 1.401 177.366 176.000 -0.058 0.000 0.965 266 Q CA 0.665 56.473 55.803 0.008 0.000 0.910 266 Q CB 0.048 28.853 28.738 0.113 0.000 0.980 266 Q HN 0.649 nan 8.270 nan 0.000 0.491 267 R N -1.475 118.942 120.500 -0.140 0.000 2.388 267 R HA 0.153 4.493 4.340 -0.000 0.000 0.247 267 R C 0.709 176.889 176.300 -0.200 0.000 0.931 267 R CA 0.517 56.469 56.100 -0.246 0.000 1.082 267 R CB 0.669 30.740 30.300 -0.381 0.000 1.135 267 R HN 0.341 nan 8.270 nan 0.000 0.525 268 G N 1.091 109.806 108.800 -0.140 0.000 2.159 268 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.256 268 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.256 268 G C 0.184 175.010 174.900 -0.123 0.000 0.977 268 G CA -0.176 44.852 45.100 -0.120 0.000 0.652 268 G HN 0.262 nan 8.290 nan 0.000 0.531 269 I N 1.529 122.013 120.570 -0.143 0.000 2.365 269 I HA 0.553 4.723 4.170 -0.000 0.000 0.291 269 I C 1.044 177.120 176.117 -0.068 0.000 1.004 269 I CA -0.319 60.897 61.300 -0.140 0.000 1.311 269 I CB 1.513 39.383 38.000 -0.218 0.000 1.401 269 I HN 0.275 nan 8.210 nan 0.000 0.491 270 A N 6.526 129.315 122.820 -0.051 0.000 2.351 270 A HA 0.659 4.979 4.320 -0.000 0.000 0.257 270 A C -0.221 177.382 177.584 0.032 0.000 1.087 270 A CA -0.342 51.689 52.037 -0.009 0.000 0.798 270 A CB 0.696 19.679 19.000 -0.028 0.000 1.033 270 A HN 0.648 nan 8.150 nan 0.000 0.488 271 V N -0.831 119.130 119.914 0.079 0.000 3.078 271 V HA 0.732 4.852 4.120 -0.000 0.000 0.311 271 V C -0.943 175.234 176.094 0.138 0.000 1.138 271 V CA -0.957 61.409 62.300 0.110 0.000 1.007 271 V CB 1.991 33.878 31.823 0.108 0.000 1.045 271 V HN 0.616 nan 8.190 nan 0.000 0.432 272 I N 2.181 122.835 120.570 0.140 0.000 2.437 272 I HA 0.491 4.661 4.170 -0.000 0.000 0.279 272 I C -2.671 173.519 176.117 0.121 0.000 1.028 272 I CA -2.351 59.028 61.300 0.132 0.000 1.142 272 I CB 1.061 39.133 38.000 0.121 0.000 1.266 272 I HN 0.488 nan 8.210 nan 0.000 0.461 273 P HA 0.035 nan 4.420 nan 0.000 0.263 273 P C -0.071 177.264 177.300 0.058 0.000 1.195 273 P CA -0.059 63.126 63.100 0.141 0.000 0.762 273 P CB 0.488 32.330 31.700 0.237 0.000 0.799 274 K N 2.685 123.135 120.400 0.084 0.000 2.758 274 K HA 0.223 4.543 4.320 -0.000 0.000 0.250 274 K C 0.561 177.193 176.600 0.054 0.000 1.268 274 K CA 0.212 56.537 56.287 0.063 0.000 1.228 274 K CB -0.122 32.430 32.500 0.086 0.000 1.715 274 K HN 0.432 nan 8.250 nan 0.000 0.334 275 S N 0.749 116.453 115.700 0.006 0.000 6.547 275 S HA -0.149 4.321 4.470 -0.000 0.000 0.076 275 S C -0.754 173.855 174.600 0.015 0.000 1.283 275 S CA 0.257 58.461 58.200 0.008 0.000 1.275 275 S CB -0.771 62.452 63.200 0.039 0.000 1.550 275 S HN 0.559 nan 8.310 nan 0.000 0.510 276 N N 1.351 120.095 118.700 0.075 0.000 2.708 276 N HA -0.181 4.559 4.740 -0.000 0.000 0.251 276 N C -0.569 175.033 175.510 0.153 0.000 1.017 276 N CA 0.913 54.054 53.050 0.152 0.000 0.742 276 N CB -1.514 37.096 38.487 0.205 0.000 0.943 276 N HN 0.642 nan 8.380 nan 0.000 0.539 277 L N -0.218 121.071 121.223 0.109 0.000 2.601 277 L HA 0.093 4.433 4.340 -0.000 0.000 0.277 277 L C -1.082 175.850 176.870 0.104 0.000 1.219 277 L CA -0.567 54.326 54.840 0.089 0.000 0.915 277 L CB 0.428 42.525 42.059 0.064 0.000 1.160 277 L HN 0.007 nan 8.230 nan 0.000 0.494 278 P HA -0.289 nan 4.420 nan 0.000 0.225 278 P C 0.808 178.160 177.300 0.086 0.000 1.154 278 P CA 2.072 65.225 63.100 0.088 0.000 0.885 278 P CB 0.105 31.846 31.700 0.068 0.000 0.785 279 E N -1.068 119.179 120.200 0.079 0.000 2.047 279 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 279 E C 1.614 178.272 176.600 0.097 0.000 0.987 279 E CA 1.130 57.576 56.400 0.076 0.000 0.799 279 E CB -0.570 29.168 29.700 0.064 0.000 0.752 279 E HN 0.361 nan 8.360 nan 0.000 0.449 280 R N 0.841 121.409 120.500 0.114 0.000 2.356 280 R HA 0.223 4.563 4.340 -0.000 0.000 0.234 280 R C 2.225 178.639 176.300 0.190 0.000 0.929 280 R CA -0.144 56.042 56.100 0.144 0.000 1.084 280 R CB -0.359 30.029 30.300 0.148 0.000 1.105 280 R HN 0.195 nan 8.270 nan 0.000 0.515 281 L N 0.330 121.665 121.223 0.186 0.000 1.956 281 L HA -0.238 4.102 4.340 -0.000 0.000 0.216 281 L C 2.091 179.163 176.870 0.338 0.000 1.073 281 L CA 1.675 56.667 54.840 0.253 0.000 0.762 281 L CB -0.373 41.799 42.059 0.188 0.000 0.889 281 L HN -0.024 nan 8.230 nan 0.000 0.433 282 V N -0.594 119.454 119.914 0.223 0.000 2.343 282 V HA -0.345 3.775 4.120 -0.000 0.000 0.247 282 V C 2.381 178.560 176.094 0.142 0.000 1.051 282 V CA 1.976 64.372 62.300 0.159 0.000 1.036 282 V CB -0.535 31.344 31.823 0.094 0.000 0.654 282 V HN 0.555 nan 8.190 nan 0.000 0.451 283 Q N 0.114 120.011 119.800 0.161 0.000 2.135 283 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 283 Q C 1.836 177.987 176.000 0.252 0.000 0.981 283 Q CA 1.718 57.624 55.803 0.172 0.000 0.856 283 Q CB -0.084 28.751 28.738 0.162 0.000 0.902 283 Q HN 0.615 nan 8.270 nan 0.000 0.425 284 N N 0.253 119.138 118.700 0.308 0.000 2.521 284 N HA -0.081 4.659 4.740 -0.000 0.000 0.188 284 N C 0.767 176.546 175.510 0.448 0.000 1.146 284 N CA 0.833 54.137 53.050 0.423 0.000 0.893 284 N CB 0.126 38.849 38.487 0.393 0.000 0.975 284 N HN 0.432 nan 8.380 nan 0.000 0.451 285 R N -0.742 119.853 120.500 0.159 0.000 2.508 285 R HA 0.226 4.566 4.340 -0.000 0.000 0.300 285 R C 0.166 176.251 176.300 -0.359 0.000 0.970 285 R CA -0.016 55.968 56.100 -0.194 0.000 1.102 285 R CB 0.078 30.072 30.300 -0.510 0.000 1.246 285 R HN -0.010 nan 8.270 nan 0.000 0.539 286 S N 0.241 115.803 115.700 -0.229 0.000 2.665 286 S HA 0.185 4.655 4.470 -0.000 0.000 0.235 286 S C 0.077 174.605 174.600 -0.122 0.000 1.084 286 S CA -0.994 57.064 58.200 -0.236 0.000 1.151 286 S CB -0.575 62.568 63.200 -0.094 0.000 1.151 286 S HN 0.399 nan 8.310 nan 0.000 0.461 287 F N -0.299 119.681 119.950 0.050 0.000 2.727 287 F HA 0.531 5.058 4.527 0.000 0.000 0.302 287 F C 0.431 176.256 175.800 0.043 0.000 1.097 287 F CA -1.089 56.975 58.000 0.106 0.000 1.330 287 F CB -0.583 38.488 39.000 0.119 0.000 1.084 287 F HN 0.167 nan 8.300 nan 0.000 0.578 288 N N 1.617 120.235 118.700 -0.137 0.000 3.091 288 N HA 0.035 4.775 4.740 -0.000 0.000 0.301 288 N C 0.890 176.375 175.510 -0.042 0.000 1.325 288 N CA 0.726 53.718 53.050 -0.096 0.000 1.143 288 N CB 0.013 38.386 38.487 -0.191 0.000 1.450 288 N HN 0.498 nan 8.380 nan 0.000 0.542 289 T N -2.984 111.628 114.554 0.096 0.000 3.044 289 T HA 0.228 4.578 4.350 -0.000 0.000 0.260 289 T C 0.192 175.036 174.700 0.240 0.000 1.019 289 T CA -0.294 61.895 62.100 0.148 0.000 0.921 289 T CB -0.306 68.667 68.868 0.176 0.000 1.053 289 T HN 0.171 nan 8.240 nan 0.000 0.533 290 F N -0.842 119.089 119.950 -0.031 0.000 2.686 290 F HA 0.825 5.352 4.527 -0.000 0.000 0.311 290 F C -2.045 173.669 175.800 -0.143 0.000 1.128 290 F CA -1.630 56.313 58.000 -0.094 0.000 0.946 290 F CB 0.893 39.782 39.000 -0.185 0.000 1.336 290 F HN -0.259 nan 8.300 nan 0.000 0.457 291 D N 2.206 122.486 120.400 -0.199 0.000 2.350 291 D HA 0.512 5.152 4.640 -0.000 0.000 0.245 291 D C -0.620 175.536 176.300 -0.239 0.000 1.036 291 D CA -0.208 53.634 54.000 -0.263 0.000 0.848 291 D CB 2.773 43.536 40.800 -0.062 0.000 1.307 291 D HN 0.559 nan 8.370 nan 0.000 0.469 292 L N 1.165 122.222 121.223 -0.277 0.000 2.375 292 L HA 0.302 4.642 4.340 -0.000 0.000 0.271 292 L C 1.291 178.111 176.870 -0.083 0.000 1.107 292 L CA -0.387 54.286 54.840 -0.277 0.000 0.806 292 L CB 1.138 42.791 42.059 -0.677 0.000 1.146 292 L HN 0.442 nan 8.230 nan 0.000 0.447 293 T N -1.856 112.712 114.554 0.023 0.000 2.881 293 T HA 0.190 4.540 4.350 -0.000 0.000 0.278 293 T C 0.923 175.745 174.700 0.205 0.000 0.982 293 T CA -0.764 61.417 62.100 0.135 0.000 0.989 293 T CB 1.455 70.413 68.868 0.150 0.000 1.058 293 T HN 0.653 nan 8.240 nan 0.000 0.529 294 K N 0.247 120.790 120.400 0.238 0.000 2.074 294 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 294 K C 1.838 178.573 176.600 0.226 0.000 1.048 294 K CA 2.042 58.490 56.287 0.267 0.000 0.926 294 K CB -0.214 32.383 32.500 0.160 0.000 0.713 294 K HN 0.701 nan 8.250 nan 0.000 0.444 295 E N 0.947 121.235 120.200 0.148 0.000 2.072 295 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 295 E C 1.758 178.416 176.600 0.097 0.000 0.985 295 E CA 1.396 57.862 56.400 0.111 0.000 0.801 295 E CB -0.172 29.574 29.700 0.077 0.000 0.750 295 E HN 0.353 nan 8.360 nan 0.000 0.452 296 D N -0.013 120.425 120.400 0.063 0.000 2.123 296 D HA -0.159 4.480 4.640 -0.000 0.000 0.196 296 D C 1.670 177.953 176.300 -0.028 0.000 0.992 296 D CA 0.964 54.957 54.000 -0.013 0.000 0.833 296 D CB -0.244 40.507 40.800 -0.082 0.000 0.954 296 D HN 0.156 nan 8.370 nan 0.000 0.455 297 F N 1.564 121.600 119.950 0.144 0.000 2.186 297 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 297 F C 2.443 178.323 175.800 0.133 0.000 1.090 297 F CA 0.819 58.925 58.000 0.178 0.000 1.307 297 F CB -0.424 38.670 39.000 0.156 0.000 1.019 297 F HN -0.030 nan 8.300 nan 0.000 0.489 298 E N -0.234 120.126 120.200 0.268 0.000 2.110 298 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 298 E C 2.071 178.742 176.600 0.118 0.000 0.988 298 E CA 1.115 57.618 56.400 0.171 0.000 0.804 298 E CB -0.161 29.616 29.700 0.128 0.000 0.745 298 E HN 0.322 nan 8.360 nan 0.000 0.458 299 E N 0.624 120.878 120.200 0.089 0.000 2.106 299 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 299 E C 2.119 178.729 176.600 0.016 0.000 0.984 299 E CA 0.740 57.169 56.400 0.049 0.000 0.806 299 E CB -0.064 29.654 29.700 0.030 0.000 0.750 299 E HN 0.367 nan 8.360 nan 0.000 0.458 300 I N 0.826 121.392 120.570 -0.006 0.000 2.439 300 I HA -0.157 4.013 4.170 -0.000 0.000 0.251 300 I C 2.352 178.442 176.117 -0.045 0.000 1.139 300 I CA 0.718 61.936 61.300 -0.137 0.000 1.438 300 I CB -0.250 37.559 38.000 -0.318 0.000 1.085 300 I HN -0.038 nan 8.210 nan 0.000 0.427 301 A N 1.019 123.905 122.820 0.111 0.000 2.019 301 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 301 A C 2.221 179.851 177.584 0.077 0.000 1.164 301 A CA 1.446 53.568 52.037 0.140 0.000 0.644 301 A CB -0.432 18.669 19.000 0.168 0.000 0.805 301 A HN 0.344 nan 8.150 nan 0.000 0.449 302 K N -0.164 120.269 120.400 0.056 0.000 2.360 302 K HA 0.017 4.337 4.320 -0.000 0.000 0.201 302 K C 1.347 177.977 176.600 0.051 0.000 1.046 302 K CA 0.876 57.196 56.287 0.054 0.000 0.945 302 K CB -0.271 32.264 32.500 0.058 0.000 0.750 302 K HN 0.512 nan 8.250 nan 0.000 0.464 303 L N 0.684 121.914 121.223 0.012 0.000 2.395 303 L HA -0.005 4.335 4.340 -0.000 0.000 0.218 303 L C 0.615 177.560 176.870 0.126 0.000 1.130 303 L CA 0.161 55.019 54.840 0.030 0.000 0.826 303 L CB -0.529 41.415 42.059 -0.191 0.000 0.941 303 L HN 0.104 nan 8.230 nan 0.000 0.451 304 D N 1.961 122.410 120.400 0.081 0.000 2.368 304 D HA -0.003 4.637 4.640 -0.000 0.000 0.268 304 D C 0.948 177.302 176.300 0.090 0.000 1.298 304 D CA 0.288 54.349 54.000 0.101 0.000 0.938 304 D CB 0.405 41.254 40.800 0.081 0.000 1.101 304 D HN 0.357 nan 8.370 nan 0.000 0.509 305 I N 0.421 121.055 120.570 0.106 0.000 4.009 305 I HA 0.407 4.577 4.170 -0.000 0.000 0.331 305 I C 1.087 177.200 176.117 -0.007 0.000 1.462 305 I CA -0.530 60.789 61.300 0.032 0.000 1.117 305 I CB 0.066 38.060 38.000 -0.011 0.000 1.091 305 I HN 0.418 nan 8.210 nan 0.000 0.410 306 G N 2.904 111.706 108.800 0.003 0.000 2.295 306 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.287 306 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.287 306 G C -0.415 174.429 174.900 -0.093 0.000 1.055 306 G CA 0.275 45.346 45.100 -0.048 0.000 0.922 306 G HN 0.418 nan 8.290 nan 0.000 0.503 307 L N 0.640 121.820 121.223 -0.071 0.000 2.259 307 L HA 0.634 4.974 4.340 -0.000 0.000 0.288 307 L C 0.631 177.327 176.870 -0.292 0.000 1.051 307 L CA -1.018 53.691 54.840 -0.218 0.000 0.824 307 L CB 0.820 42.742 42.059 -0.228 0.000 1.206 307 L HN 0.332 nan 8.230 nan 0.000 0.429 308 R N 3.853 124.135 120.500 -0.364 0.000 2.255 308 R HA 0.279 4.619 4.340 -0.000 0.000 0.326 308 R C -0.264 175.835 176.300 -0.335 0.000 0.986 308 R CA -0.315 55.612 56.100 -0.287 0.000 0.847 308 R CB 0.591 30.712 30.300 -0.299 0.000 1.111 308 R HN 0.619 nan 8.270 nan 0.000 0.452 309 F N 1.391 121.418 119.950 0.129 0.000 2.619 309 F HA 0.166 4.693 4.527 -0.000 0.000 0.293 309 F C 0.928 176.742 175.800 0.024 0.000 1.119 309 F CA -0.049 58.040 58.000 0.147 0.000 1.445 309 F CB 0.215 39.380 39.000 0.276 0.000 1.119 309 F HN 0.431 nan 8.300 nan 0.000 0.573 310 N N 0.963 119.735 118.700 0.120 0.000 2.817 310 N HA 0.081 4.821 4.740 -0.000 0.000 0.234 310 N C -1.769 173.823 175.510 0.137 0.000 1.066 310 N CA -0.052 52.982 53.050 -0.026 0.000 0.926 310 N CB -0.031 38.480 38.487 0.038 0.000 1.176 310 N HN -0.115 nan 8.380 nan 0.000 0.506 311 D N 2.824 123.291 120.400 0.111 0.000 2.481 311 D HA 0.385 5.025 4.640 -0.000 0.000 0.246 311 D C -1.983 174.195 176.300 -0.203 0.000 1.109 311 D CA -2.112 51.949 54.000 0.102 0.000 0.845 311 D CB 2.294 43.158 40.800 0.106 0.000 1.160 311 D HN 0.218 nan 8.370 nan 0.000 0.534 312 P HA -0.052 nan 4.420 nan 0.000 0.225 312 P C 1.373 178.250 177.300 -0.704 0.000 1.148 312 P CA 0.427 62.622 63.100 -1.509 0.000 0.779 312 P CB 0.082 30.975 31.700 -1.344 0.000 0.780 313 W N 1.133 122.197 121.300 -0.394 0.000 2.364 313 W HA -0.149 4.511 4.660 -0.000 0.000 0.281 313 W C 0.479 176.902 176.519 -0.160 0.000 1.219 313 W CA 1.381 58.587 57.345 -0.231 0.000 1.220 313 W CB -0.220 29.168 29.460 -0.121 0.000 1.127 313 W HN 0.038 nan 8.180 nan 0.000 0.556 314 D N -0.818 119.559 120.400 -0.038 0.000 2.317 314 D HA -0.132 4.508 4.640 -0.000 0.000 0.211 314 D C 1.762 178.113 176.300 0.085 0.000 0.966 314 D CA 0.946 54.978 54.000 0.053 0.000 0.876 314 D CB -0.789 40.137 40.800 0.210 0.000 0.927 314 D HN 0.210 nan 8.370 nan 0.000 0.519 315 W N 1.035 122.189 121.300 -0.243 0.000 2.444 315 W HA 0.020 4.680 4.660 -0.000 0.000 0.308 315 W C 1.045 177.157 176.519 -0.679 0.000 1.183 315 W CA 0.493 57.575 57.345 -0.439 0.000 1.340 315 W CB -0.559 28.484 29.460 -0.695 0.000 1.138 315 W HN -0.034 nan 8.180 nan 0.000 0.510 316 D N -2.197 117.871 120.400 -0.553 0.000 3.285 316 D HA 0.024 4.664 4.640 -0.000 0.000 0.314 316 D C -0.703 175.201 176.300 -0.660 0.000 1.601 316 D CA -0.115 53.482 54.000 -0.671 0.000 0.772 316 D CB -1.214 38.884 40.800 -1.171 0.000 1.312 316 D HN 0.074 nan 8.370 nan 0.000 0.550 317 N N 0.557 118.710 118.700 -0.912 0.000 2.727 317 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 317 N C -0.512 174.458 175.510 -0.899 0.000 1.048 317 N CA 0.410 52.513 53.050 -1.578 0.000 0.714 317 N CB -0.847 36.756 38.487 -1.474 0.000 0.959 317 N HN 0.436 nan 8.380 nan 0.000 0.544 318 I N 1.412 121.660 120.570 -0.537 0.000 2.379 318 I HA 0.121 4.291 4.170 -0.000 0.000 0.290 318 I C -1.146 174.936 176.117 -0.059 0.000 1.063 318 I CA -1.748 59.348 61.300 -0.339 0.000 1.351 318 I CB 0.613 38.360 38.000 -0.421 0.000 1.410 318 I HN -0.052 nan 8.210 nan 0.000 0.505 319 P HA -0.022 nan 4.420 nan 0.000 0.271 319 P C 1.106 178.314 177.300 -0.152 0.000 1.535 319 P CA 0.207 63.349 63.100 0.070 0.000 0.820 319 P CB 0.006 31.733 31.700 0.046 0.000 1.606 320 I N -1.033 119.355 120.570 -0.303 0.000 2.226 320 I HA -0.154 4.016 4.170 -0.000 0.000 0.245 320 I C 1.413 177.101 176.117 -0.716 0.000 1.100 320 I CA 1.459 62.394 61.300 -0.608 0.000 1.374 320 I CB -1.384 36.070 38.000 -0.910 0.000 1.057 320 I HN -0.022 nan 8.210 nan 0.000 0.413 321 F N 0.437 120.341 119.950 -0.077 0.000 2.772 321 F HA 0.269 4.796 4.527 -0.000 0.000 0.302 321 F C 0.580 176.295 175.800 -0.142 0.000 1.136 321 F CA -0.614 57.331 58.000 -0.092 0.000 1.322 321 F CB -0.464 38.493 39.000 -0.072 0.000 0.967 321 F HN -0.195 nan 8.300 nan 0.000 0.513 322 V N 0.000 119.869 119.914 -0.075 0.000 2.409 322 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 322 V CA 0.000 62.206 62.300 -0.157 0.000 1.235 322 V CB 0.000 31.633 31.823 -0.317 0.000 1.184 322 V HN 0.000 nan 8.190 nan 0.000 0.556